Basic information
- CAS
102395-71-1- Standard SMILES
CCOC(=O)C1(c2ccccc2)CCN(C(=O)Nc2ccc(C)cc2)CC1- InChIKey
BHCFALRDIZKTII-UHFFFAOYSA-N- Molecular formula
- C22H26N2O3
- Average molar mass
- 366.5 g/mol
- Monoisotopic mass
- 366.1943427
Names & identifiers
- Preferred name
- ISONIPECOTIC ACID, 4-PHENYL-1-p-TOLYLCARBAMOYL-, ETHYL ESTER
- IUPAC
- ethyl 1-[(4-methylphenyl)carbamoyl]-4-phenylpiperidine-4-carboxylate
- English name
- ethyl 1-[(4-methylphenyl)carbamoyl]-4-phenyl-piperidine-4-carboxylate
- Molecular formula
- C22H26N2O3
- Molecular weight
- 0
Names & synonyms
102395-71-1ethyl 1-[(4-methylphenyl)carbamoyl]-4-phenylpiperidine-4-carboxylateISONIPECOTIC ACID, 4-PHENYL-1-p-TOLYLCARBAMOYL-, ETHYL ESTERBRN 03479844-Phenyl-1-p-tolylcarbamoylisonipecotic acid ethyl esterDTXSID30145019ETHYL 1-[(4-METHYLPHENYL)CARBAMOYL]-4-PHENYL-PIPERIDINE-4-CARBOXYLATE4-Piperidinecarboxylic acid, 1-[[(4-methylphenyl)amino]carbonyl]-4-phenyl-, ethyl ester
Database identifiers
- CAS
102395-71-1- PubChem CID
- 59336
- DTXSID
DTXSID30145019- Nikkaji
- J68.814B
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 500
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…