1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one

C21H30N2O2 — CID 110346395

IUPAC1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
SMILESCC(C)(C(=O)N1CCN(C(=O)C2CCCCC2)CC1)c1ccccc1
InChIInChI=1S/C21H30N2O2/c1-21(2,18-11-7-4-8-12-18)20(25)23-15-13-22(14-16-23)19(24)17-9-5-3-6-10-17/h4,7-8,11-12,17H,3,5-6,9-10,13-16H2,1-2H3
InChIKeyNWEWJWUFXWALKY-UHFFFAOYSA-N
MW342.48 g/mol
LogP3.22
Rot. Bonds3

About 1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one

1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one (PubChem CID 110346395) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is 1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one.

Molecular Properties

Compound Name1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
PubChem CID110346395
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
SMILESCC(C)(C(=O)N1CCN(C(=O)C2CCCCC2)CC1)c1ccccc1
InChIInChI=1S/C21H30N2O2/c1-21(2,18-11-7-4-8-12-18)20(25)23-15-13-22(14-16-23)19(24)17-9-5-3-6-10-17/h4,7-8,11-12,17H,3,5-6,9-10,13-16H2,1-2H3
InChIKeyNWEWJWUFXWALKY-UHFFFAOYSA-N
XLogP3.22
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-[4-(2-methyl-2-phenylpropanoyl)piperazine-1-carbonyl]piperidine-1-carboxamide
CID 51933994
(5R)-5-[4-(2-methyl-2-phenylpropanoyl)piperazine-1-carbonyl]piperidin-2-one
CID 52525158
2-methyl-2-phenyl-1-[4-[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]piperazin-1-yl]propan-1-one
CID 39998005
1-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 95758980
2-methyl-2-(4-methylphenyl)-1-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 110244181
aziridin-1-yl(cyclohexyl)methanone
CID 2309619
1-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-2,2-dimethylpropan-1-one
CID 110797693
cyclohexyl-[4-(1-phenylethyl)piperazin-1-yl]methanone
CID 113073983
2-(4-fluorophenyl)-2-methyl-1-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 110246474
2-(4-fluorophenyl)-2-methyl-1-[(3R)-3-(piperidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 92633437
1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2,2-diphenylethanone
CID 108533858
1-[4-(1-aminoethyl)piperidin-1-yl]-2-methyl-2-phenylpropan-1-one;hydrochloride
CID 119517891

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one?
The IUPAC name of 1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one (CID 110346395) is 1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one.
What is the SMILES notation for 1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one?
The canonical SMILES for 1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one is CC(C)(C(=O)N1CCN(C(=O)C2CCCCC2)CC1)c1ccccc1.
What is the InChIKey of 1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one?
The InChIKey is NWEWJWUFXWALKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-21(2,18-11-7-4-8-12-18)20(25)23-15-13-22(14-16-23)19(24)17-9-5-3-6-10-17/h4,7-8,11-12,17H,3,5-6,9-10,13-16H2,1-2H3.
What are the key properties of 1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one?
1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one has a molecular weight of 342.48 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one is sourced from PubChem (CID 110346395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).