Basic information
- Standard SMILES
COc1cccc(C(=O)N2CCC(CCN3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)c1- InChIKey
GUUBAKCFURYWAZ-UHFFFAOYSA-N- Molecular formula
- C32H35Cl2N3O3
- Average molar mass
- 580.5 g/mol
- Monoisotopic mass
- 579.2055474
Names & identifiers
- Preferred name
- 1-[2-[3-(3,4-Dichloro-phenyl)-1-(3-methoxy-benzoyl)-pyrrolidin-3-yl]-ethyl]-4-phenyl-piperidine-4-carboxylic acid amide
- IUPAC
- 1-[2-[3-(3,4-dichlorophenyl)-1-(3-methoxybenzoyl)pyrrolidin-3-yl]ethyl]-4-phenylpiperidine-4-carboxamide
Names & synonyms
CHEMBL1732451-[2-[3-(3,4-dichloro-phenyl)-1-(3-methoxy-benzoyl)-pyrrolidin-3-yl]-ethyl]-4-phenyl-piperidine-4-carboxylic acid amide1-{2-[3-(3,4-Dichloro-phenyl)-1-(3-methoxy-benzoyl)-pyrrolidin-3-yl]-ethyl}-4-phenyl-piperidine-4-carboxylic acid amideSCHEMBL8347205GUUBAKCFURYWAZ-UHFFFAOYSA-NBDBM50289184
Database identifiers
- PubChem CID
- 44384902
- ChEMBL
CHEMBL173245
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 75.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 875
Related reactions
6 records
Compound notes
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