1-Benzyl-4-oxopiperidine-3-carboxylic acid
Basic information
- CAS
85277-13-0- Standard SMILES
O=C(O)C1CN(Cc2ccccc2)CCC1=O- InChIKey
VCQNFTHBRZIIOF-UHFFFAOYSA-N- Molecular formula
- C13H15NO3
- Average molar mass
- 233.26 g/mol
- Monoisotopic mass
- 233.10519334
Names & identifiers
- Preferred name
- 1-Benzyl-4-oxopiperidine-3-carboxylic acid
- IUPAC
- 1-benzyl-4-oxopiperidine-3-carboxylic acid
- English name
- 1-BENZYL-4-OXO-PIPERIDINE-3-CARBOXYLIC ACID
- Molecular formula
- C13H15NO3
- Molecular weight
- 233.26
Names & synonyms
85277-13-01-benzyl-4-oxopiperidine-3-carboxylic acid1-BENZYL-4-OXO-PIPERIDINE-3-CARBOXYLIC ACID1-Benzyl-4-oxo-3-piperidinecarboxylic acid3-Piperidinecarboxylicacid, 4-oxo-1-(phenylmethyl)-SCHEMBL16717920DTXSID40624486AKOS0273835821-benzyl-4-oxopiperidine-3-carboxylicacid1-Benzyl-4-oxo-piperidine-3-carboxylicacidDB-031925CS-0358102
Show more names
3-Piperidinecarboxylic acid, 4-oxo-1-(phenylmethyl)-
Database identifiers
- CAS
85277-13-0- PubChem CID
- 22293449
- DTXSID
DTXSID40624486- Nikkaji
- J2.526.642K
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 297
Physicochemical properties
- Boiling point
- 424.6 · 424.6±45.0 °C(Predicted)
- Density
- 1.263 · 1.263±0.06 g/cm3(Predicted)
- pka
- 2.53 · 2.53±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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