2-cyclopentyl-1-[4-(2,3-diethylquinoxaline-6-carbonyl)piperazin-1-yl]ethanone

C24H32N4O2 — CID 30831100

IUPAC2-cyclopentyl-1-[4-(2,3-diethylquinoxaline-6-carbonyl)piperazin-1-yl]ethanone
SMILESCCc1nc2ccc(C(=O)N3CCN(C(=O)CC4CCCC4)CC3)cc2nc1CC
InChIInChI=1S/C24H32N4O2/c1-3-19-20(4-2)26-22-16-18(9-10-21(22)25-19)24(30)28-13-11-27(12-14-28)23(29)15-17-7-5-6-8-17/h9-10,16-17H,3-8,11-15H2,1-2H3
InChIKeyXCNRVBOYZGXARS-UHFFFAOYSA-N
MW408.55 g/mol
LogP3.62
Rot. Bonds5

About 2-cyclopentyl-1-[4-(2,3-diethylquinoxaline-6-carbonyl)piperazin-1-yl]ethanone

2-cyclopentyl-1-[4-(2,3-diethylquinoxaline-6-carbonyl)piperazin-1-yl]ethanone (PubChem CID 30831100) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is 2-cyclopentyl-1-[4-(2,3-diethylquinoxaline-6-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[4-(2,3-diethylquinoxaline-6-carbonyl)piperazin-1-yl]ethanone
PubChem CID30831100
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC Name2-cyclopentyl-1-[4-(2,3-diethylquinoxaline-6-carbonyl)piperazin-1-yl]ethanone
SMILESCCc1nc2ccc(C(=O)N3CCN(C(=O)CC4CCCC4)CC3)cc2nc1CC
InChIInChI=1S/C24H32N4O2/c1-3-19-20(4-2)26-22-16-18(9-10-21(22)25-19)24(30)28-13-11-27(12-14-28)23(29)15-17-7-5-6-8-17/h9-10,16-17H,3-8,11-15H2,1-2H3
InChIKeyXCNRVBOYZGXARS-UHFFFAOYSA-N
XLogP3.62
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,3-diethylquinoxalin-6-yl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 40653046
1-[4-(3-acetyl-4-methylbenzoyl)piperazin-1-yl]-2-cyclohexylethanone
CID 136538057
(2,3-diethylquinoxalin-6-yl)-(1,1-dioxo-1λ6-thia-4-azaspiro[5.5]undecan-4-yl)methanone
CID 139012120
2-cyclohexyl-1-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone
CID 55586569
2-chloro-1-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]ethanone
CID 108569331
2-cyclopentyl-1-[4-[4-(trifluoromethylsulfonyl)benzoyl]piperazin-1-yl]ethanone
CID 55566577
(2,3-diethylquinoxalin-6-yl)-[4-[(2R)-2-methyl-2,3-dihydroindol-1-yl]piperidin-1-yl]methanone
CID 51957452
2-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 51255754
azocan-1-yl-(2,3-dimethylquinoxalin-6-yl)methanone
CID 47009187
6-[4-(2-cyclopentylacetyl)-1,4-diazepane-1-carbonyl]pyridine-2-carboxylic acid
CID 119184625
3-[4-(2-cyclopentylacetyl)piperazine-1-carbonyl]-N-prop-2-ynylbenzenesulfonamide
CID 46610186
(2,3-dimethylquinoxalin-6-yl)-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 51711835

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[4-(2,3-diethylquinoxaline-6-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[4-(2,3-diethylquinoxaline-6-carbonyl)piperazin-1-yl]ethanone (CID 30831100) is 2-cyclopentyl-1-[4-(2,3-diethylquinoxaline-6-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[4-(2,3-diethylquinoxaline-6-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[4-(2,3-diethylquinoxaline-6-carbonyl)piperazin-1-yl]ethanone is CCc1nc2ccc(C(=O)N3CCN(C(=O)CC4CCCC4)CC3)cc2nc1CC.
What is the InChIKey of 2-cyclopentyl-1-[4-(2,3-diethylquinoxaline-6-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is XCNRVBOYZGXARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-3-19-20(4-2)26-22-16-18(9-10-21(22)25-19)24(30)28-13-11-27(12-14-28)23(29)15-17-7-5-6-8-17/h9-10,16-17H,3-8,11-15H2,1-2H3.
What are the key properties of 2-cyclopentyl-1-[4-(2,3-diethylquinoxaline-6-carbonyl)piperazin-1-yl]ethanone?
2-cyclopentyl-1-[4-(2,3-diethylquinoxaline-6-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 408.55 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[4-(2,3-diethylquinoxaline-6-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 30831100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).