4-(5-chloro-2-oxo-1H-pyridine-3-carbonyl)-1-cyclohexylpiperazin-2-one

C16H20ClN3O3 — CID 86285127

IUPAC4-(5-chloro-2-oxo-1H-pyridine-3-carbonyl)-1-cyclohexylpiperazin-2-one
SMILESO=C(c1cc(Cl)c[nH]c1=O)N1CCN(C2CCCCC2)C(=O)C1
InChIInChI=1S/C16H20ClN3O3/c17-11-8-13(15(22)18-9-11)16(23)19-6-7-20(14(21)10-19)12-4-2-1-3-5-12/h8-9,12H,1-7,10H2,(H,18,22)
InChIKeyAIAYMXVNKQBMHF-UHFFFAOYSA-N
MW337.81 g/mol
LogP1.65
Rot. Bonds2

About 4-(5-chloro-2-oxo-1H-pyridine-3-carbonyl)-1-cyclohexylpiperazin-2-one

4-(5-chloro-2-oxo-1H-pyridine-3-carbonyl)-1-cyclohexylpiperazin-2-one (PubChem CID 86285127) has the molecular formula C16H20ClN3O3 and a molecular weight of 337.81 g/mol. Its IUPAC name is 4-(5-chloro-2-oxo-1H-pyridine-3-carbonyl)-1-cyclohexylpiperazin-2-one.

Molecular Properties

Compound Name4-(5-chloro-2-oxo-1H-pyridine-3-carbonyl)-1-cyclohexylpiperazin-2-one
PubChem CID86285127
Molecular FormulaC16H20ClN3O3
Molecular Weight337.81 g/mol
Exact Mass337.12
IUPAC Name4-(5-chloro-2-oxo-1H-pyridine-3-carbonyl)-1-cyclohexylpiperazin-2-one
SMILESO=C(c1cc(Cl)c[nH]c1=O)N1CCN(C2CCCCC2)C(=O)C1
InChIInChI=1S/C16H20ClN3O3/c17-11-8-13(15(22)18-9-11)16(23)19-6-7-20(14(21)10-19)12-4-2-1-3-5-12/h8-9,12H,1-7,10H2,(H,18,22)
InChIKeyAIAYMXVNKQBMHF-UHFFFAOYSA-N
XLogP1.65
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carbonyl]-5-chloro-1H-pyridin-2-one
CID 95127554
4-(5-chloro-2,3-dihydro-1H-indole-2-carbonyl)-1-cyclopentylpiperazin-2-one
CID 77090422
5-chloro-N-cyclohexyl-2-oxo-1H-pyridine-3-carboxamide
CID 110848953
5-chloro-3-[3-(morpholine-4-carbonyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 77090270
4-(2-amino-4-methylpyrimidine-5-carbonyl)-1-cyclohexylpiperazin-2-one
CID 86287002
1-cyclopentyl-4-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperazin-2-one
CID 70782658
4-[2-(3-chlorophenyl)-2-hydroxyacetyl]-1-cyclopentylpiperazin-2-one
CID 77082700
1-cyclohexyl-4-(2-methoxypyrimidine-5-carbonyl)piperazin-2-one
CID 56739229
1-cyclopentyl-4-[2-(pyrrolidin-3-ylmethyl)benzoyl]piperazin-2-one
CID 166612327
4-[1-[(2-chloro-4-fluorophenyl)methyl]triazole-4-carbonyl]-1-cyclopentylpiperazin-2-one
CID 25306791
1-cyclopentyl-4-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)piperazin-2-one
CID 118785701
3-chloro-5-(4-cyclopentylpiperazine-1-carbonyl)-1H-pyridin-2-one
CID 56816482

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-oxo-1H-pyridine-3-carbonyl)-1-cyclohexylpiperazin-2-one?
The IUPAC name of 4-(5-chloro-2-oxo-1H-pyridine-3-carbonyl)-1-cyclohexylpiperazin-2-one (CID 86285127) is 4-(5-chloro-2-oxo-1H-pyridine-3-carbonyl)-1-cyclohexylpiperazin-2-one.
What is the SMILES notation for 4-(5-chloro-2-oxo-1H-pyridine-3-carbonyl)-1-cyclohexylpiperazin-2-one?
The canonical SMILES for 4-(5-chloro-2-oxo-1H-pyridine-3-carbonyl)-1-cyclohexylpiperazin-2-one is O=C(c1cc(Cl)c[nH]c1=O)N1CCN(C2CCCCC2)C(=O)C1.
What is the InChIKey of 4-(5-chloro-2-oxo-1H-pyridine-3-carbonyl)-1-cyclohexylpiperazin-2-one?
The InChIKey is AIAYMXVNKQBMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O3/c17-11-8-13(15(22)18-9-11)16(23)19-6-7-20(14(21)10-19)12-4-2-1-3-5-12/h8-9,12H,1-7,10H2,(H,18,22).
What are the key properties of 4-(5-chloro-2-oxo-1H-pyridine-3-carbonyl)-1-cyclohexylpiperazin-2-one?
4-(5-chloro-2-oxo-1H-pyridine-3-carbonyl)-1-cyclohexylpiperazin-2-one has a molecular weight of 337.81 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-oxo-1H-pyridine-3-carbonyl)-1-cyclohexylpiperazin-2-one is sourced from PubChem (CID 86285127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).