3-(4-cyclohexylpiperazine-1-carbonyl)-1-methylquinoxalin-2-one

C20H26N4O2 — CID 46364975

IUPAC3-(4-cyclohexylpiperazine-1-carbonyl)-1-methylquinoxalin-2-one
SMILESCn1c(=O)c(C(=O)N2CCN(C3CCCCC3)CC2)nc2ccccc21
InChIInChI=1S/C20H26N4O2/c1-22-17-10-6-5-9-16(17)21-18(19(22)25)20(26)24-13-11-23(12-14-24)15-7-3-2-4-8-15/h5-6,9-10,15H,2-4,7-8,11-14H2,1H3
InChIKeyMVXXANUDCIHTKB-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.02
Rot. Bonds2

About 3-(4-cyclohexylpiperazine-1-carbonyl)-1-methylquinoxalin-2-one

3-(4-cyclohexylpiperazine-1-carbonyl)-1-methylquinoxalin-2-one (PubChem CID 46364975) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 3-(4-cyclohexylpiperazine-1-carbonyl)-1-methylquinoxalin-2-one.

Molecular Properties

Compound Name3-(4-cyclohexylpiperazine-1-carbonyl)-1-methylquinoxalin-2-one
PubChem CID46364975
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name3-(4-cyclohexylpiperazine-1-carbonyl)-1-methylquinoxalin-2-one
SMILESCn1c(=O)c(C(=O)N2CCN(C3CCCCC3)CC2)nc2ccccc21
InChIInChI=1S/C20H26N4O2/c1-22-17-10-6-5-9-16(17)21-18(19(22)25)20(26)24-13-11-23(12-14-24)15-7-3-2-4-8-15/h5-6,9-10,15H,2-4,7-8,11-14H2,1H3
InChIKeyMVXXANUDCIHTKB-UHFFFAOYSA-N
XLogP2.02
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-3-(4-phenylpiperazine-1-carbonyl)quinoxalin-2-one
CID 46365024
3-[4-(1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-1-methylquinoxalin-2-one
CID 46979077
[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]-(1-methylindazol-3-yl)methanone
CID 126892556
1-methyl-3-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]quinoxalin-2-one
CID 46364973
(1-methylbenzimidazol-2-yl)-piperidin-1-ylmethanone
CID 110469012
1-methyl-3-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbonyl]quinoxalin-2-one
CID 46364985
1-(1-cyclooctylpiperidin-4-yl)-3-methylquinoxalin-2-one
CID 118919117
(4-cyclohexylpiperazin-1-yl)-[1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]methanone
CID 20887019
sodium;3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)-1-(1-cyclooctylpiperidin-4-yl)quinoxalin-2-one;2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(methyl)borinic acid;[5-[4-(1-cyclooctylpiperidin-4-yl)-3-oxoquinoxaline-2-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-methylborinic acid;4-(1-cyclooctylpiperidin-4-yl)-3-oxoquinoxaline-2-carboxylate;hydrochloride
CID 160892823
4-(1-cyclooctylpiperidin-4-yl)-N-(2,3-dihydroxypropyl)-3-oxoquinoxaline-2-carboxamide
CID 59451176
5-methyl-2-(4-piperidin-1-ylpiperidine-1-carbonyl)thieno[3,2-c]quinolin-4-one
CID 20857497
cyclopropyl-[4-(1-methylbenzimidazol-2-yl)-1,4-diazepan-1-yl]methanone
CID 165435392

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclohexylpiperazine-1-carbonyl)-1-methylquinoxalin-2-one?
The IUPAC name of 3-(4-cyclohexylpiperazine-1-carbonyl)-1-methylquinoxalin-2-one (CID 46364975) is 3-(4-cyclohexylpiperazine-1-carbonyl)-1-methylquinoxalin-2-one.
What is the SMILES notation for 3-(4-cyclohexylpiperazine-1-carbonyl)-1-methylquinoxalin-2-one?
The canonical SMILES for 3-(4-cyclohexylpiperazine-1-carbonyl)-1-methylquinoxalin-2-one is Cn1c(=O)c(C(=O)N2CCN(C3CCCCC3)CC2)nc2ccccc21.
What is the InChIKey of 3-(4-cyclohexylpiperazine-1-carbonyl)-1-methylquinoxalin-2-one?
The InChIKey is MVXXANUDCIHTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-22-17-10-6-5-9-16(17)21-18(19(22)25)20(26)24-13-11-23(12-14-24)15-7-3-2-4-8-15/h5-6,9-10,15H,2-4,7-8,11-14H2,1H3.
What are the key properties of 3-(4-cyclohexylpiperazine-1-carbonyl)-1-methylquinoxalin-2-one?
3-(4-cyclohexylpiperazine-1-carbonyl)-1-methylquinoxalin-2-one has a molecular weight of 354.45 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclohexylpiperazine-1-carbonyl)-1-methylquinoxalin-2-one is sourced from PubChem (CID 46364975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).