Isonipecotic acid, 4-phenyl-1-phenylcarbamoyl-, ethyl ester
Basic information
- CAS
102375-30-4- Standard SMILES
CCOC(=O)C1(c2ccccc2)CCN(C(=O)Nc2ccccc2)CC1- InChIKey
HPJHYOXTAUCLAH-UHFFFAOYSA-N- Molecular formula
- C21H24N2O3
- Average molar mass
- 352.4 g/mol
- Monoisotopic mass
- 352.17869263
Names & identifiers
- Preferred name
- Isonipecotic acid, 4-phenyl-1-phenylcarbamoyl-, ethyl ester
- IUPAC
- ethyl 4-phenyl-1-(phenylcarbamoyl)piperidine-4-carboxylate
Names & synonyms
ISONIPECOTIC ACID, 4-PHENYL-1-PHENYLCARBAMOYL-, ETHYL ESTER102375-30-4BRN 03393474-Phenyl-1-phenylcarbamoyl-isonipecotic acid ethyl esterethyl 4-phenyl-1-(phenylcarbamoyl)piperidine-4-carboxylateDTXSID00144978
Database identifiers
- CAS
102375-30-4- PubChem CID
- 59319
- DTXSID
DTXSID00144978- Nikkaji
- J68.813D
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 474
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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