Basic information
- Standard SMILES
COc1c(C)cc(C(=O)N2CCN(c3ncccc3NC(C)C)CC2)cc1C- InChIKey
HWRZDBIPSJPLTJ-UHFFFAOYSA-N- Molecular formula
- C22H30N4O2
- Average molar mass
- 382.5 g/mol
Names & identifiers
- Preferred name
- 1-(3,5-Dimethyl-4-methoxybenzoyl)-4-[3-[(1-methylethyl)amino]-2-pyridinyl]piperazine
- IUPAC
- (4-methoxy-3,5-dimethylphenyl)-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone
Names & synonyms
CHEMBL7256SCHEMBL9037098HWRZDBIPSJPLTJ-UHFFFAOYSA-N[4-[3-(isopropylamino)-2-pyridyl]piperazin-1-yl]-(4-methoxy-3,5-dimethyl-phenyl)methanone1-(3,5-Dimethyl-4-methoxybenzoyl)-4-[3-[(1-methylethyl)amino]-2-pyridinyl]piperazine1-[3,5-Dimethyl-4-methoxybenzoyl]-4-[3-(1-methylethylamino)-2-pyridinyl]piperazine
Database identifiers
- PubChem CID
- 455376
- ChEMBL
CHEMBL7256
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 57.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 495
Related reactions
3 records
Compound notes
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