Basic information
- Standard SMILES
CCNc1cccnc1N1CCN(C(=O)c2cc(C)c(OC)c(C)c2)CC1- InChIKey
ZQKMMJNODQBEMI-UHFFFAOYSA-N- Molecular formula
- C21H28N4O2
- Average molar mass
- 368.5 g/mol
Names & identifiers
- Preferred name
- 1-(3,5-Dimethyl-4-methoxybenzoyl)-4-(3-ethylamino-2-pyridinyl)piperazine
- IUPAC
- [4-[3-(ethylamino)-2-pyridinyl]piperazin-1-yl]-(4-methoxy-3,5-dimethylphenyl)methanone
Names & synonyms
SCHEMBL9038228CHEMBL1194446ZQKMMJNODQBEMI-UHFFFAOYSA-N1-(3,5-Dimethyl-4-methoxybenzoyl)-4-(3-ethylamino-2-pyridinyl)piperazine[4-[3-(ethylamino)-2-pyridyl]piperazin-1-yl]-(4-methoxy-3,5-dimethyl-phenyl)methanone1-[4-Methoxy-3,5-dimethylbenzoyl]-4-[3-(ethylamino)-2-pyridinyl]piperazine
Database identifiers
- PubChem CID
- 455375
- ChEMBL
CHEMBL1194446
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 57.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 469
Related reactions
3 records
Compound notes
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