3-(4-ethylpiperazine-1-carbonyl)-1-methylpyridin-2-one

C13H19N3O2 — CID 110692777

IUPAC3-(4-ethylpiperazine-1-carbonyl)-1-methylpyridin-2-one
SMILESCCN1CCN(C(=O)c2cccn(C)c2=O)CC1
InChIInChI=1S/C13H19N3O2/c1-3-15-7-9-16(10-8-15)13(18)11-5-4-6-14(2)12(11)17/h4-6H,3,7-10H2,1-2H3
InChIKeyQTAOYYQYZGVGMI-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.16
Rot. Bonds2

About 3-(4-ethylpiperazine-1-carbonyl)-1-methylpyridin-2-one

3-(4-ethylpiperazine-1-carbonyl)-1-methylpyridin-2-one (PubChem CID 110692777) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-(4-ethylpiperazine-1-carbonyl)-1-methylpyridin-2-one.

Molecular Properties

Compound Name3-(4-ethylpiperazine-1-carbonyl)-1-methylpyridin-2-one
PubChem CID110692777
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name3-(4-ethylpiperazine-1-carbonyl)-1-methylpyridin-2-one
SMILESCCN1CCN(C(=O)c2cccn(C)c2=O)CC1
InChIInChI=1S/C13H19N3O2/c1-3-15-7-9-16(10-8-15)13(18)11-5-4-6-14(2)12(11)17/h4-6H,3,7-10H2,1-2H3
InChIKeyQTAOYYQYZGVGMI-UHFFFAOYSA-N
XLogP0.16
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[(2S)-2-hydroxy-3,3-dimethylbutyl]piperazine-1-carbonyl]-1-methylpyridin-2-one
CID 95316272
3-(2,2-difluoro-6-azaspiro[2.5]octane-6-carbonyl)-1-methylpyridin-2-one
CID 131702359
3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-methylpyridin-2-one
CID 110692830
3-[4-(2-hydroxy-4-methylpentanoyl)-1,4-diazepane-1-carbonyl]-1-methylpyridin-2-one
CID 134696920
[2-(aminomethyl)phenyl]-(4-ethylpiperazin-1-yl)methanone
CID 82546965
(4-ethylpiperazin-1-yl)-(1-methyl-4-phenylpyrrol-2-yl)methanone
CID 53014171
3-[(3R)-3-aminopiperidine-1-carbonyl]-1-methylpyridin-2-one
CID 129493140
4-(4-ethylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one
CID 110701165
4-(4-ethylpiperazine-1-carbonyl)-1-methylpyrazole-3-carboxylic acid
CID 19624067
5-amino-3-(4-ethylpiperazine-1-carbonyl)-1-methylquinolin-4-one
CID 94947331
1-methyl-3-[3-(pyrimidin-2-ylamino)azetidine-1-carbonyl]pyridin-2-one
CID 121187305
1-methyl-3-(9-methyl-2,9-diazaspiro[5.5]undecane-2-carbonyl)pyridin-2-one
CID 155874685

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylpiperazine-1-carbonyl)-1-methylpyridin-2-one?
The IUPAC name of 3-(4-ethylpiperazine-1-carbonyl)-1-methylpyridin-2-one (CID 110692777) is 3-(4-ethylpiperazine-1-carbonyl)-1-methylpyridin-2-one.
What is the SMILES notation for 3-(4-ethylpiperazine-1-carbonyl)-1-methylpyridin-2-one?
The canonical SMILES for 3-(4-ethylpiperazine-1-carbonyl)-1-methylpyridin-2-one is CCN1CCN(C(=O)c2cccn(C)c2=O)CC1.
What is the InChIKey of 3-(4-ethylpiperazine-1-carbonyl)-1-methylpyridin-2-one?
The InChIKey is QTAOYYQYZGVGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-3-15-7-9-16(10-8-15)13(18)11-5-4-6-14(2)12(11)17/h4-6H,3,7-10H2,1-2H3.
What are the key properties of 3-(4-ethylpiperazine-1-carbonyl)-1-methylpyridin-2-one?
3-(4-ethylpiperazine-1-carbonyl)-1-methylpyridin-2-one has a molecular weight of 249.31 g/mol, XLogP of 0.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylpiperazine-1-carbonyl)-1-methylpyridin-2-one is sourced from PubChem (CID 110692777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).