4-(2-cyclohexyl-2-oxoethyl)-1-methylpiperazin-2-one

C13H22N2O2 — CID 104750864

IUPAC4-(2-cyclohexyl-2-oxoethyl)-1-methylpiperazin-2-one
SMILESCN1CCN(CC(=O)C2CCCCC2)CC1=O
InChIInChI=1S/C13H22N2O2/c1-14-7-8-15(10-13(14)17)9-12(16)11-5-3-2-4-6-11/h11H,2-10H2,1H3
InChIKeyJBJRXHFQSKCXJO-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.91
Rot. Bonds3

About 4-(2-cyclohexyl-2-oxoethyl)-1-methylpiperazin-2-one

4-(2-cyclohexyl-2-oxoethyl)-1-methylpiperazin-2-one (PubChem CID 104750864) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-(2-cyclohexyl-2-oxoethyl)-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(2-cyclohexyl-2-oxoethyl)-1-methylpiperazin-2-one
PubChem CID104750864
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name4-(2-cyclohexyl-2-oxoethyl)-1-methylpiperazin-2-one
SMILESCN1CCN(CC(=O)C2CCCCC2)CC1=O
InChIInChI=1S/C13H22N2O2/c1-14-7-8-15(10-13(14)17)9-12(16)11-5-3-2-4-6-11/h11H,2-10H2,1H3
InChIKeyJBJRXHFQSKCXJO-UHFFFAOYSA-N
XLogP0.91
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-2-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 104749970
4-(2-cyclopentyl-2-oxoethyl)-1,4-diazepan-2-one
CID 104750873
1-methyl-4-[2-oxo-2-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]piperazin-2-one
CID 127979460
2-(2-cyclohexyl-2-oxoethyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 104751025
2-(4-methyl-3-oxo-1,4-diazepan-1-yl)acetic acid
CID 102889426
ethyl 2-(4-methyl-3-oxopiperazin-1-yl)acetate
CID 64693243
N-ethyl-2-(4-methyl-3-oxopiperazin-1-yl)acetamide
CID 166062321
1-(2-cyclohexyl-2-oxoethyl)azepan-2-one
CID 104751187
2-(4-tert-butylpiperazin-1-yl)-1-cyclopentylethanone
CID 113448723
4-[2-(1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindol-2-yl)-2-oxoethyl]-1-methylpiperazin-2-one
CID 127983336
1-cyclopentyl-2-(3,4-dimethylpyrrolidin-1-yl)ethanone
CID 104750922
1-cyclopentyl-2-(1,3-dihydroisoindol-2-yl)ethanone
CID 104750643

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclohexyl-2-oxoethyl)-1-methylpiperazin-2-one?
The IUPAC name of 4-(2-cyclohexyl-2-oxoethyl)-1-methylpiperazin-2-one (CID 104750864) is 4-(2-cyclohexyl-2-oxoethyl)-1-methylpiperazin-2-one.
What is the SMILES notation for 4-(2-cyclohexyl-2-oxoethyl)-1-methylpiperazin-2-one?
The canonical SMILES for 4-(2-cyclohexyl-2-oxoethyl)-1-methylpiperazin-2-one is CN1CCN(CC(=O)C2CCCCC2)CC1=O.
What is the InChIKey of 4-(2-cyclohexyl-2-oxoethyl)-1-methylpiperazin-2-one?
The InChIKey is JBJRXHFQSKCXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-14-7-8-15(10-13(14)17)9-12(16)11-5-3-2-4-6-11/h11H,2-10H2,1H3.
What are the key properties of 4-(2-cyclohexyl-2-oxoethyl)-1-methylpiperazin-2-one?
4-(2-cyclohexyl-2-oxoethyl)-1-methylpiperazin-2-one has a molecular weight of 238.33 g/mol, XLogP of 0.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclohexyl-2-oxoethyl)-1-methylpiperazin-2-one is sourced from PubChem (CID 104750864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).