3-(4-cyclopentylpiperazine-1-carbonyl)-6-methyl-1H-pyridin-2-one

C16H23N3O2 — CID 86768773

IUPAC3-(4-cyclopentylpiperazine-1-carbonyl)-6-methyl-1H-pyridin-2-one
SMILESCc1ccc(C(=O)N2CCN(C3CCCC3)CC2)c(=O)[nH]1
InChIInChI=1S/C16H23N3O2/c1-12-6-7-14(15(20)17-12)16(21)19-10-8-18(9-11-19)13-4-2-3-5-13/h6-7,13H,2-5,8-11H2,1H3,(H,17,20)
InChIKeyVAHVXZUDNHZZBV-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.38
Rot. Bonds2

About 3-(4-cyclopentylpiperazine-1-carbonyl)-6-methyl-1H-pyridin-2-one

3-(4-cyclopentylpiperazine-1-carbonyl)-6-methyl-1H-pyridin-2-one (PubChem CID 86768773) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-(4-cyclopentylpiperazine-1-carbonyl)-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(4-cyclopentylpiperazine-1-carbonyl)-6-methyl-1H-pyridin-2-one
PubChem CID86768773
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name3-(4-cyclopentylpiperazine-1-carbonyl)-6-methyl-1H-pyridin-2-one
SMILESCc1ccc(C(=O)N2CCN(C3CCCC3)CC2)c(=O)[nH]1
InChIInChI=1S/C16H23N3O2/c1-12-6-7-14(15(20)17-12)16(21)19-10-8-18(9-11-19)13-4-2-3-5-13/h6-7,13H,2-5,8-11H2,1H3,(H,17,20)
InChIKeyVAHVXZUDNHZZBV-UHFFFAOYSA-N
XLogP1.38
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 ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)-6-methyl-1H-pyridin-2-one
CID 128952319
1-[4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 55867890
3-(4-hydroxy-4-methylpiperidine-1-carbonyl)-6-methyl-1H-pyridin-2-one
CID 115696691
methyl 1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylate
CID 115584285
6-methyl-3-(4-phenylpiperidine-1-carbonyl)-1H-pyridin-2-one
CID 86768751
3-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 95976185
3-[(3S)-3-aminopyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 103816592
3-(3-aminopiperidine-1-carbonyl)-6-methyl-1H-pyridin-2-one;hydrochloride
CID 119381683
3-[1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]propanoic acid
CID 115923902
6-methyl-3-[4-(3-methylbenzoyl)-1,4-diazepane-1-carbonyl]-1H-pyridin-2-one
CID 87015397
4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-1,4-diazepan-2-one
CID 113230147
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonyl)-6-methyl-1H-pyridin-2-one
CID 71873396

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopentylpiperazine-1-carbonyl)-6-methyl-1H-pyridin-2-one?
The IUPAC name of 3-(4-cyclopentylpiperazine-1-carbonyl)-6-methyl-1H-pyridin-2-one (CID 86768773) is 3-(4-cyclopentylpiperazine-1-carbonyl)-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3-(4-cyclopentylpiperazine-1-carbonyl)-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 3-(4-cyclopentylpiperazine-1-carbonyl)-6-methyl-1H-pyridin-2-one is Cc1ccc(C(=O)N2CCN(C3CCCC3)CC2)c(=O)[nH]1.
What is the InChIKey of 3-(4-cyclopentylpiperazine-1-carbonyl)-6-methyl-1H-pyridin-2-one?
The InChIKey is VAHVXZUDNHZZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-12-6-7-14(15(20)17-12)16(21)19-10-8-18(9-11-19)13-4-2-3-5-13/h6-7,13H,2-5,8-11H2,1H3,(H,17,20).
What are the key properties of 3-(4-cyclopentylpiperazine-1-carbonyl)-6-methyl-1H-pyridin-2-one?
3-(4-cyclopentylpiperazine-1-carbonyl)-6-methyl-1H-pyridin-2-one has a molecular weight of 289.38 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopentylpiperazine-1-carbonyl)-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 86768773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).