Basic information
- CAS
503614-97-9- Standard SMILES
COC(=O)c1ccc(N2CCCCC2=O)cc1- InChIKey
KNUNJWZMNTWUSR-UHFFFAOYSA-N- Molecular formula
- C13H15NO3
- Average molar mass
- 233.26 g/mol
- Monoisotopic mass
- 233.10519334
Names & identifiers
- Preferred name
- Methyl 4-(2-oxopiperidin-1-YL)benzoate
- IUPAC
- methyl 4-(2-oxopiperidin-1-yl)benzoate
Names & synonyms
METHYL 4-(2-OXOPIPERIDIN-1-YL)BENZOATE503614-97-9Benzoic acid, 4-(2-oxo-1-piperidinyl)-, methyl esterSCHEMBL4195522DTXSID30469262
Database identifiers
- CAS
503614-97-9- PubChem CID
- 11601089
- DTXSID
DTXSID30469262
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 295
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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