Basic information
- Standard SMILES
COc1cccc(OC)c1C1CCCC(=O)N1Cc1cnn(-c2ccccc2)c1- InChIKey
LMMPJOIAPQATRY-UHFFFAOYSA-N- Molecular formula
- C23H25N3O3
- Average molar mass
- 391.5 g/mol
Names & identifiers
- Preferred name
- 6-(2,6-dimethoxyphenyl)-1-((1-phenyl-1H-pyrazol-4-yl)methyl)piperidin-2-one
- IUPAC
- 6-(2,6-dimethoxyphenyl)-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-2-one
Names & synonyms
SCHEMBL4535450CHEMBL3964578LMMPJOIAPQATRY-UHFFFAOYSA-NBDBM202886US9242970, 266-(2,6-dimethoxyphenyl)-1-((1-phenyl-1H-pyrazol-4-yl)methyl)piperidin-2-one
Database identifiers
- PubChem CID
- 69082198
- ChEMBL
CHEMBL3964578
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 56.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 527
Related reactions
1 records
Compound notes
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