Basic information
- Standard SMILES
CCC(CC)N1C(=O)CC[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cn1- InChIKey
JHPGCGDYRYGIJH-NQIIRXRSSA-N- Molecular formula
- C21H24Cl2N2O
- Average molar mass
- 391.3 g/mol
Names & identifiers
- Preferred name
- (5R,6S)-5-(3-Chlorophenyl)-6-(5-chloropyridin-2-yl)-1-(pentan-3-yl)piperidin-2-one
- IUPAC
- (5R,6S)-5-(3-chlorophenyl)-6-(5-chloro-2-pyridinyl)-1-pentan-3-ylpiperidin-2-one
Names & synonyms
SCHEMBL9992278JHPGCGDYRYGIJH-NQIIRXRSSA-N(5R,6S)-5-(3-Chlorophenyl)-6-(5-chloropyridin-2-yl)-1-(pentan-3-yl)piperidin-2-one
Database identifiers
- PubChem CID
- 58573152
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 33.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 471
Related reactions
2 records
Compound notes
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