2-Piperidinobenzamide
Basic information
- CAS
3430-40-8- Standard SMILES
NC(=O)c1ccccc1N1CCCCC1- InChIKey
VTXYPPVXMJMLCY-UHFFFAOYSA-N- Molecular formula
- C12H16N2O
- Average molar mass
- 204.27 g/mol
- Monoisotopic mass
- 204.12626314
Names & identifiers
- Preferred name
- 2-Piperidinobenzamide
- IUPAC
- 2-piperidin-1-ylbenzamide
- English name
- 2-Piperidinobenzamide
- Molecular formula
- C12H16N2O
- Molecular weight
- 204.27
Names & synonyms
2-piperidinobenzamide3430-40-82-(piperidin-1-yl)benzamide2-piperidin-1-ylbenzamideMFCD000522572-(1-piperidinyl)benzamide2-piperidylbenzamideBenzamide,2-(1-piperidinyl)-piperidinyl benzamideNSC343044Maybridge1_0009742-(1-piperidyl)benzamide
Show more names
BUTTPARK 91\04-29
A1AA9Oprea1_786300MLS000833649SCHEMBL605593orb3031025CHEMBL1457078Benzamide, 2-(1-piperidinyl)-HMS544E06
Database identifiers
- CAS
3430-40-8- PubChem CID
- 335067
- DTXSID
DTXSID60319261- ChEMBL
CHEMBL1457078
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 224
Experimental & physicochemical properties
Solubility>30.6 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 115 °C · 115 °C
- Boiling point
- 372.4 · 372.4±25.0 °C(Predicted)
- Density
- 1.132 · 1.132±0.06 g/cm3(Predicted)
- pka
- 15.91 · 15.91±0.50(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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