1-(3,5-Dimethyl-4-methoxybenzoyl)-4-[3-[(1-methylethyl)amino]-2-pyridinyl]piperazine

HCID 455376

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

Related reactions

3 records

Compound notes

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