1-(3,5-Dimethyl-4-methoxybenzoyl)-4-(3-ethylamino-2-pyridinyl)piperazine

HCID 455375

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

Related reactions

3 records

Compound notes

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