Basic information
- Standard SMILES
COc1cccc(OC)c1C1CC(C)C(=O)N1Cc1cccc(N2CCCCC2)c1- InChIKey
QXRWNWHIOABJLL-UHFFFAOYSA-N- Molecular formula
- C25H32N2O3
- Average molar mass
- 408.5 g/mol
- Monoisotopic mass
- 408.24129289
Names & identifiers
- Preferred name
- 5-(2,6-Dimethoxyphenyl)-3-methyl-1-(3-(piperidin-1-yl)benzyl)pyrrolidin-2-one
- IUPAC
- 5-(2,6-dimethoxyphenyl)-3-methyl-1-[(3-piperidin-1-ylphenyl)methyl]pyrrolidin-2-one
Names & synonyms
SCHEMBL4540118CHEMBL3941481QXRWNWHIOABJLL-UHFFFAOYSA-NBDBM202986US9242970, 1345-(2,6-dimethoxyphenyl)-3-methyl-1-(3-(piperidin-1-yl)benzyl)pyrrolidin-2-one
Database identifiers
- PubChem CID
- 69084313
- ChEMBL
CHEMBL3941481
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 553
Related reactions
1 records
Compound notes
Loading…