5-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1H-pyridin-2-one

C16H23N3O2 — CID 110735913

IUPAC5-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1H-pyridin-2-one
SMILESO=C(C1CCCCC1)N1CCN(c2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C16H23N3O2/c20-15-7-6-14(12-17-15)18-8-10-19(11-9-18)16(21)13-4-2-1-3-5-13/h6-7,12-13H,1-5,8-11H2,(H,17,20)
InChIKeyDBUCKRSSUAQCQK-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.60
Rot. Bonds2

About 5-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1H-pyridin-2-one

5-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1H-pyridin-2-one (PubChem CID 110735913) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 5-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1H-pyridin-2-one
PubChem CID110735913
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name5-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1H-pyridin-2-one
SMILESO=C(C1CCCCC1)N1CCN(c2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C16H23N3O2/c20-15-7-6-14(12-17-15)18-8-10-19(11-9-18)16(21)13-4-2-1-3-5-13/h6-7,12-13H,1-5,8-11H2,(H,17,20)
InChIKeyDBUCKRSSUAQCQK-UHFFFAOYSA-N
XLogP1.60
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-4-(6-oxo-1H-pyridin-3-yl)piperazine-1-carboxamide
CID 110749250
cyclobutyl-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113079016
cyclohexyl-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 78777393
cyclohexyl-[4-[4-(dimethylamino)phenyl]piperazin-1-yl]methanone
CID 113078713
5-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]-1H-pyridin-2-one
CID 110730655
N-[4-[4-(cyclohexanecarbonyl)piperazin-1-yl]phenyl]cyclobutanecarboxamide
CID 1055992
5-(4-benzoylpiperazin-1-yl)-1H-pyridin-2-one
CID 110735921
4-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]benzamide
CID 68550560
aziridin-1-yl(cyclohexyl)methanone
CID 2309619
cyclobutyl-[4-[4-(4-methylpiperidin-1-yl)phenyl]piperazin-1-yl]methanone
CID 113079073
[4-(3-chlorophenyl)piperazin-1-yl]-cyclohexylmethanone
CID 798144
[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]-cyclohexylmethanone
CID 113079595

Frequently Asked Questions

What is the IUPAC name of 5-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1H-pyridin-2-one?
The IUPAC name of 5-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1H-pyridin-2-one (CID 110735913) is 5-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1H-pyridin-2-one?
The canonical SMILES for 5-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1H-pyridin-2-one is O=C(C1CCCCC1)N1CCN(c2ccc(=O)[nH]c2)CC1.
What is the InChIKey of 5-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1H-pyridin-2-one?
The InChIKey is DBUCKRSSUAQCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c20-15-7-6-14(12-17-15)18-8-10-19(11-9-18)16(21)13-4-2-1-3-5-13/h6-7,12-13H,1-5,8-11H2,(H,17,20).
What are the key properties of 5-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1H-pyridin-2-one?
5-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1H-pyridin-2-one has a molecular weight of 289.38 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1H-pyridin-2-one is sourced from PubChem (CID 110735913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).