Basic information
- Standard SMILES
COc1cncc(OC)c1C1CCCC(=O)N1Cc1cccc(-c2ccccn2)c1- InChIKey
VJUIXCOOQUYPSQ-UHFFFAOYSA-N- Molecular formula
- C24H25N3O3
- Average molar mass
- 403.5 g/mol
Names & identifiers
- Preferred name
- 6-(3,5-Dimethoxypyridin-4-yl)-1-(3-(pyridin-2-yl)benzyl)piperidin-2-one
- IUPAC
- 6-(3,5-dimethoxy-4-pyridinyl)-1-[(3-pyridin-2-ylphenyl)methyl]piperidin-2-one
Names & synonyms
SCHEMBL4540299CHEMBL3962237VJUIXCOOQUYPSQ-UHFFFAOYSA-NBDBM202916US9242970, 636-(3,5-dimethoxypyridin-4-yl)-1-(3-(pyridin-2-yl)benzyl)piperidin-2-one
Database identifiers
- PubChem CID
- 69084401
- ChEMBL
CHEMBL3962237
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 548
Related reactions
1 records
Compound notes
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