4-Piperidinecarboxamide
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Basic information
- CAS
39546-32-2- Standard SMILES
NC(=O)C1CCNCC1- InChIKey
DPBWFNDFMCCGGJ-UHFFFAOYSA-N- Molecular formula
- C6H12N2O
- Average molar mass
- 128.17 g/mol
- Monoisotopic mass
- 128.09496301
Names & identifiers
- Preferred name
- 4-Piperidinecarboxamide
- IUPAC
- piperidine-4-carboxamide
- English name
- Isonipecotamide
- Molecular formula
- C6H12N2O
- Molecular weight
- 128.17
Names & synonyms
Piperidine-4-carboxamideIsonipecotamide39546-32-24-Piperidinecarboxamide4-carbamoylpiperidine4-piperidine carboxamideCZE2810T4X4-carboxamidopiperidinePiperidine-4-carboxylic acid amideEINECS 254-501-6NSC 82318NSC-82318
Show more names
PIPERIDINE-4-CARBALDEHYDEIsonipectoamideIsonepicotamideIsonipecotinamideIsonipecotamide>
4-(aminocarbonyl)piperidine4-PIPERIDYLCARBOXAMIDEDTXSID7068182RefChem:526499DTXCID0039643HexahydroisonicotinamideMFCD00038012iso-nipecotamide
Database identifiers
- CAS
39546-32-2- PubChem CID
- 3772
- DTXSID
DTXSID7068182- ChEMBL
CHEMBL184430- ChEBI
CHEBI:166563- UNII
- CZE2810T4X
- EC Number
- 254-501-6
- Nikkaji
- J208.629H
Properties
Computed structural propertiesFilling in
- XLogP
- -1.4
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 108
Physicochemical properties
- Melting point
- 145 · 145-148 °C(lit.)
- Boiling point
- 237.61 °C · 237.61°C (rough estimate)
- Density
- 1.0754 · 1.0754 (rough estimate)
- refractive index
- 1.488 · 1.4880 (estimate)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- DMSO (Sparingly), Methanol (Slightly)
- form
- Crystalline Powder
- pka
- 16.48 · 16.48±0.20(Predicted)
- color
- White to light yellow
- Water Solubility
- Soluble in water.
- Sensitive
- Hygroscopic
- BRN
- 112554 · 112554
- Stability
- Hygroscopic
- InChI
- 1S/C6H12N2O/c7-6(9)5-1-3-8-4-2-5/h5,8H,1-4H2,(H2,7,9)
- InChIKey
- DPBWFNDFMCCGGJ-UHFFFAOYSA-N
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (98.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 53 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory InformationStatus: Active Update: 21-12-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21793
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (98.1%)
Regulatory information
Regulatory InformationStatus: Active Update: 21-12-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21793
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
Chemistry & industry
Uses & manufacturing
General Manufacturing Information4-Piperidinecarboxamide: ACTIVE
Applications
UsesReactant for synthesis of:• ;Survival motor neuron (SMN) protein modulators1• ;Diaminotriazine hNav1.7 inhibitors2• ;Heteroalicyclic carboxamidines as inhibitors of inducible nitric oxide synthase3• ;Orally available naphthyridine protein kinase D inhibitors4• ;Phosphodiesterase 5 inhibitors5Reactant for identification of small molecular inhibitors of importin-β mediated nublear import6
UsesIsonipecotamide is used as a reactant for the preparation of Survival motor neuron (SMN) protein modulators, orally available naphthyridine protein kinase D inhibitors and heteroalicyclic carboxamidines as inhibitors of inducible nitric oxide synthase. It is also used to prepare phosphodiesterase 5 inhibitors. It is also used as a reactant for identification of small molecular inhibitors of importin-beta mediated nuclear import. It is also used as a fluorenylmethyloxycarbonyl - deprotection agent in organic synthesis.
UsesAnesthetic, analgesic, antimicrobial and cooling agent for prevention or treatment of skin irritation.
Upstream & downstream products
Downstream products
Related reactions
209 records
Compound notes
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