Basic information
- Standard SMILES
O=C(c1ccccc1)C1CCN(C(=O)OCc2ccccc2)CC1- InChIKey
NCBPASYYEWCNOU-UHFFFAOYSA-N- Molecular formula
- C20H21NO3
- Average molar mass
- 323.4 g/mol
- Monoisotopic mass
- 323.15214353
Names & identifiers
- Preferred name
- Benzyl 4-benzoylpiperidine-1-carboxylate
- IUPAC
- benzyl 4-benzoylpiperidine-1-carboxylate
Names & synonyms
benzyl 4-benzoylpiperidine-1-carboxylate922504-27-6SCHEMBL2848087DTXSID80727884NCBPASYYEWCNOU-UHFFFAOYSA-NEN300-28294408
Database identifiers
- CAS
922504-27-6- PubChem CID
- 57779495
- DTXSID
DTXSID80727884- Nikkaji
- J2.409.862A
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 417
Related reactions
2 records
Linked notes
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