Basic information
- Standard SMILES
COC(=O)c1cc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)ccc1C- InChIKey
YBSJJKLLJNKXMA-UHFFFAOYSA-N- Molecular formula
- C22H22N2O3
- Average molar mass
- 362.4 g/mol
Names & identifiers
- Preferred name
- Methyl 5-(4-(4-cyanophenyl)piperidine-1-carbonyl)-2-methylbenzoate
- IUPAC
- methyl 5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylbenzoate
Names & synonyms
SCHEMBL12489276YBSJJKLLJNKXMA-UHFFFAOYSA-NDB-139407Methyl 5-(4-(4-cyanophenyl)piperidine-1-carbonyl)-2-methylbenzoate5-[[4-(4-Cyanophenyl)-1-piperidinyl]carbonyl]-2-methylbenzoic acid methyl ester1399181-42-0
Database identifiers
- PubChem CID
- 68289061
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 70.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 580
Related reactions
1 records
Compound notes
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