1-cyclopentyl-4,6-dimethyl-3-(piperazine-1-carbonyl)pyridin-2-one

C17H25N3O2 — CID 82525752

IUPAC1-cyclopentyl-4,6-dimethyl-3-(piperazine-1-carbonyl)pyridin-2-one
SMILESCc1cc(C)n(C2CCCC2)c(=O)c1C(=O)N1CCNCC1
InChIInChI=1S/C17H25N3O2/c1-12-11-13(2)20(14-5-3-4-6-14)17(22)15(12)16(21)19-9-7-18-8-10-19/h11,14,18H,3-10H2,1-2H3
InChIKeyXMDIKHRNARYXRS-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.63
Rot. Bonds2

About 1-cyclopentyl-4,6-dimethyl-3-(piperazine-1-carbonyl)pyridin-2-one

1-cyclopentyl-4,6-dimethyl-3-(piperazine-1-carbonyl)pyridin-2-one (PubChem CID 82525752) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-cyclopentyl-4,6-dimethyl-3-(piperazine-1-carbonyl)pyridin-2-one.

Molecular Properties

Compound Name1-cyclopentyl-4,6-dimethyl-3-(piperazine-1-carbonyl)pyridin-2-one
PubChem CID82525752
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name1-cyclopentyl-4,6-dimethyl-3-(piperazine-1-carbonyl)pyridin-2-one
SMILESCc1cc(C)n(C2CCCC2)c(=O)c1C(=O)N1CCNCC1
InChIInChI=1S/C17H25N3O2/c1-12-11-13(2)20(14-5-3-4-6-14)17(22)15(12)16(21)19-9-7-18-8-10-19/h11,14,18H,3-10H2,1-2H3
InChIKeyXMDIKHRNARYXRS-UHFFFAOYSA-N
XLogP1.63
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-acetyl-3-[(3-ethyl-4-isopropyl-1-piperazinyl)carbonyl]-6-methyl-2(1H)-pyridinone
CID 70724857
N-[1-(2-amino-2-oxoethyl)piperidin-3-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 72046541
N-(1-ethylpiperidin-3-yl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 72048283
6-methyl-N-(1-methylpiperidin-3-yl)-2-oxo-1H-pyridine-3-carboxamide
CID 72048293
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-(2-oxoimidazolidin-1-yl)piperidine-1-carboxamide
CID 72048486
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 72050241
6-(2-methylpropyl)-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-1H-pyridin-2-one
CID 75446961
N-(1-methylpiperidin-3-yl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 71888820
N-[(1S*,3R*)-3-aminocyclopentyl]-6-ethyl-2-oxo-1,2-dihydropyridine-4-carboxamide
CID 74245774
N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]-2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carboxamide
CID 97611746
4-[(3S)-3-aminopiperidine-1-carbonyl]-6-ethyl-1H-pyridin-2-one
CID 97894208
N-[(3S)-1-methylpiperidin-3-yl]-1-(2-methylpropyl)-2-oxopyridine-3-carboxamide
CID 177663696

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4,6-dimethyl-3-(piperazine-1-carbonyl)pyridin-2-one?
The IUPAC name of 1-cyclopentyl-4,6-dimethyl-3-(piperazine-1-carbonyl)pyridin-2-one (CID 82525752) is 1-cyclopentyl-4,6-dimethyl-3-(piperazine-1-carbonyl)pyridin-2-one.
What is the SMILES notation for 1-cyclopentyl-4,6-dimethyl-3-(piperazine-1-carbonyl)pyridin-2-one?
The canonical SMILES for 1-cyclopentyl-4,6-dimethyl-3-(piperazine-1-carbonyl)pyridin-2-one is Cc1cc(C)n(C2CCCC2)c(=O)c1C(=O)N1CCNCC1.
What is the InChIKey of 1-cyclopentyl-4,6-dimethyl-3-(piperazine-1-carbonyl)pyridin-2-one?
The InChIKey is XMDIKHRNARYXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-12-11-13(2)20(14-5-3-4-6-14)17(22)15(12)16(21)19-9-7-18-8-10-19/h11,14,18H,3-10H2,1-2H3.
What are the key properties of 1-cyclopentyl-4,6-dimethyl-3-(piperazine-1-carbonyl)pyridin-2-one?
1-cyclopentyl-4,6-dimethyl-3-(piperazine-1-carbonyl)pyridin-2-one has a molecular weight of 303.41 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4,6-dimethyl-3-(piperazine-1-carbonyl)pyridin-2-one is sourced from PubChem (CID 82525752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).