(4-butylcyclohexyl)-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]methanone

C24H34N4O — CID 108741197

IUPAC(4-butylcyclohexyl)-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]methanone
SMILESCCCCC1CCC(C(=O)N2CCN(c3nc4ccccc4nc3C)CC2)CC1
InChIInChI=1S/C24H34N4O/c1-3-4-7-19-10-12-20(13-11-19)24(29)28-16-14-27(15-17-28)23-18(2)25-21-8-5-6-9-22(21)26-23/h5-6,8-9,19-20H,3-4,7,10-17H2,1-2H3
InChIKeyNBHUXCLHPVOVFD-UHFFFAOYSA-N
MW394.56 g/mol
LogP4.58
Rot. Bonds5

About (4-butylcyclohexyl)-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]methanone

(4-butylcyclohexyl)-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]methanone (PubChem CID 108741197) has the molecular formula C24H34N4O and a molecular weight of 394.56 g/mol. Its IUPAC name is (4-butylcyclohexyl)-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-butylcyclohexyl)-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]methanone
PubChem CID108741197
Molecular FormulaC24H34N4O
Molecular Weight394.56 g/mol
Exact Mass394.27
IUPAC Name(4-butylcyclohexyl)-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]methanone
SMILESCCCCC1CCC(C(=O)N2CCN(c3nc4ccccc4nc3C)CC2)CC1
InChIInChI=1S/C24H34N4O/c1-3-4-7-19-10-12-20(13-11-19)24(29)28-16-14-27(15-17-28)23-18(2)25-21-8-5-6-9-22(21)26-23/h5-6,8-9,19-20H,3-4,7,10-17H2,1-2H3
InChIKeyNBHUXCLHPVOVFD-UHFFFAOYSA-N
XLogP4.58
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-butylcyclohexyl)-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]methanone with MolForge

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Related Compounds

(4-butylcyclohexyl)-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 43982497
N,N-diethyl-4-(3-methylquinoxalin-2-yl)piperazine-1-carboxamide
CID 108741263
4-[4-(3-methylquinoxalin-2-yl)piperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 108763854
methyl 4-(3-methylquinoxalin-2-yl)piperazine-1-carboxylate
CID 108741258
1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]-2-phenylethanone
CID 108763798
(4-butylcyclohexyl)-[4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 43994825
3-[4-(cyclobutanecarbonyl)piperazin-1-yl]-1-propylquinoxalin-2-one
CID 53131479
[3-(benzenesulfonyl)pyrrolidin-1-yl]-(4-butylcyclohexyl)methanone
CID 90584874
1-(4-chlorophenyl)-4-[4-(3-methylquinoxalin-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 108809896
4-[4-(4-butylcyclohexanecarbonyl)-1,4-diazepan-1-yl]benzonitrile
CID 55716002
(4-butylcyclohexyl)-(4-methylsulfonylpiperidin-1-yl)methanone
CID 90585138
[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 108741320

Frequently Asked Questions

What is the IUPAC name of (4-butylcyclohexyl)-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]methanone?
The IUPAC name of (4-butylcyclohexyl)-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]methanone (CID 108741197) is (4-butylcyclohexyl)-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-butylcyclohexyl)-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for (4-butylcyclohexyl)-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]methanone is CCCCC1CCC(C(=O)N2CCN(c3nc4ccccc4nc3C)CC2)CC1.
What is the InChIKey of (4-butylcyclohexyl)-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]methanone?
The InChIKey is NBHUXCLHPVOVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O/c1-3-4-7-19-10-12-20(13-11-19)24(29)28-16-14-27(15-17-28)23-18(2)25-21-8-5-6-9-22(21)26-23/h5-6,8-9,19-20H,3-4,7,10-17H2,1-2H3.
What are the key properties of (4-butylcyclohexyl)-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]methanone?
(4-butylcyclohexyl)-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]methanone has a molecular weight of 394.56 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butylcyclohexyl)-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 108741197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).