Basic information
- CAS
102395-62-0- Standard SMILES
CCOC(=O)C1(c2ccccc2)CCN(C(=O)Nc2ccc(N)cc2)CC1- InChIKey
GYNZWXDJSTWDBD-UHFFFAOYSA-N- Molecular formula
- C21H25N3O3
- Average molar mass
- 367.4 g/mol
- Monoisotopic mass
- 367.18959167
Names & identifiers
- Preferred name
- Isonipecotic acid, 1-((p-aminophenyl)carbamoyl)-4-phenyl-, ethyl ester
- IUPAC
- ethyl 1-[(4-aminophenyl)carbamoyl]-4-phenylpiperidine-4-carboxylate
Names & synonyms
BRN 0353877ISONIPECOTIC ACID, 1-((p-AMINOPHENYL)CARBAMOYL)-4-PHENYL-, ETHYL ESTER102395-62-0DTXSID301450141-((p-Aminophenyl)carbamoyl)-4-phenyl-isonipecotic acid ethyl ester4-22-00-01033 (Beilstein Handbook Reference)RefChem:349717DTXCID0067505ethyl 1-[(4-aminophenyl)carbamoyl]-4-phenylpiperidine-4-carboxylate
Database identifiers
- CAS
102395-62-0- PubChem CID
- 59324
- DTXSID
DTXSID30145014- Nikkaji
- J68.811H
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 503
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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