Methyl 4-oxopiperidine-3-carboxylate
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Basic information
- CAS
108554-34-3- Standard SMILES
COC(=O)C1CNCCC1=O- InChIKey
XBNGBGYWMXBQRX-UHFFFAOYSA-N- Molecular formula
- C7H11NO3
- Average molar mass
- 157.17 g/mol
- Monoisotopic mass
- 157.07389321
Names & identifiers
- Preferred name
- Methyl 4-oxopiperidine-3-carboxylate
- IUPAC
- methyl 4-oxopiperidine-3-carboxylate
- English name
- 4-OXO-PIPERIDINE-3-CARBOXYLIC ACID METHYL ESTER
- Molecular formula
- C7H11NO3
- Molecular weight
- 157.17
Names & synonyms
Methyl 4-oxopiperidine-3-carboxylate108554-34-3DTXSID10369110RefChem:355829DTXCID703201464-Oxo-piperidine-3-carboxylic acid methyl esterMFCD007786783-Piperidinecarboxylic acid, 4-oxo-, methyl estermethyl 4-oxonipecotate4-oxopiperidine-3-carboxylic acid methyl esterSCHEMBL567797XBNGBGYWMXBQRX-UHFFFAOYSA-N
Show more names
3-CARBOMETHOXY-4-PIPERIDONE3-(Methoxycarbonyl)piperidin-4-oneMethyl 4-oxo-3-piperidinecarboxylate4-Oxo-3-piperidinecarboxylic acid methyl ester1H-Indole-2-carboxylic acid, 2,3-dihydro-6-methoxy-
Methyl 4-piperidone-3-carboxylateMethyl4-oxopiperidine-3-carboxylateAKOS006228675SB30531DB-059766CS-04409124-oxo-piperidine-3carboxylic acid methyl esterEN300-307582
Database identifiers
- CAS
108554-34-3- PubChem CID
- 2724029
- DTXSID
DTXSID10369110- Nikkaji
- J283.215A
Properties
Computed structural propertiesFilling in
- XLogP
- -0.6
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 179
Physicochemical properties
- Boiling point
- 249 ℃ · 249℃
- Density
- 1.15 · 1.150
- Flash point
- 105 ℃ · 105℃
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 11 · 11.00±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesMethyl 4-Oxopiperidine-3-Carboxylate is a reactant used in the synthesis of potent inhibitors of nicotinamide phosphoribosyltransferase. Also a reactant in the preparation of potent cytotoxic agents which are phenanthrene-based tylophorine analogues.
Upstream & downstream products
Upstream raw materials
Related reactions
8 records
Compound notes
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