1-(2,2-dimethyl-3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one

C14H21N3O2 — CID 39147665

IUPAC1-(2,2-dimethyl-3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one
SMILESCC(C)(Cn1ccccc1=O)C(=O)N1CCNCC1
InChIInChI=1S/C14H21N3O2/c1-14(2,11-17-8-4-3-5-12(17)18)13(19)16-9-6-15-7-10-16/h3-5,8,15H,6-7,9-11H2,1-2H3
InChIKeyFEWKGAJYJDCDFH-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.31
Rot. Bonds3

About 1-(2,2-dimethyl-3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one

1-(2,2-dimethyl-3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one (PubChem CID 39147665) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(2,2-dimethyl-3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one.

Molecular Properties

Compound Name1-(2,2-dimethyl-3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one
PubChem CID39147665
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-(2,2-dimethyl-3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one
SMILESCC(C)(Cn1ccccc1=O)C(=O)N1CCNCC1
InChIInChI=1S/C14H21N3O2/c1-14(2,11-17-8-4-3-5-12(17)18)13(19)16-9-6-15-7-10-16/h3-5,8,15H,6-7,9-11H2,1-2H3
InChIKeyFEWKGAJYJDCDFH-UHFFFAOYSA-N
XLogP0.31
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2,2-dimethyl-3-(2-oxo-1-pyridinyl)propanoate
CID 79629550
3-hydroxy-2,2-dimethyl-1-piperazin-1-ylpropan-1-one
CID 22120293
(2S)-2-hydroxy-2-methyl-3-(2-oxo-1-pyridinyl)propanoic acid
CID 95374823
1-(2-amino-2-methylpropyl)pyridin-2-one
CID 82144133
1-(1,4-diazepan-1-yl)-2,2-dimethyl-5-phenylpentan-1-one
CID 119414461
1-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]pyridin-2-one;hydrochloride
CID 119580605
1-(1,4-diazepan-1-yl)-3-(2-fluorophenyl)-2,2-dimethylpropan-1-one
CID 95482289
N-[4-(aminomethyl)phenyl]-2,2-dimethyl-3-(2-oxo-1-pyridinyl)propanamide
CID 82032030
2-(N-ethylanilino)-2-methyl-1-piperazin-1-ylpropan-1-one
CID 39284199
3-(3-methoxyphenyl)-2,2-dimethyl-1-piperazin-1-ylpropan-1-one
CID 95479218
1-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethyl]pyridin-2-one
CID 120994925
2-methyl-2-(2-methylphenyl)sulfanyl-1-piperazin-1-ylpropan-1-one
CID 39284870

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one?
The IUPAC name of 1-(2,2-dimethyl-3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one (CID 39147665) is 1-(2,2-dimethyl-3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one.
What is the SMILES notation for 1-(2,2-dimethyl-3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one?
The canonical SMILES for 1-(2,2-dimethyl-3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one is CC(C)(Cn1ccccc1=O)C(=O)N1CCNCC1.
What is the InChIKey of 1-(2,2-dimethyl-3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one?
The InChIKey is FEWKGAJYJDCDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-14(2,11-17-8-4-3-5-12(17)18)13(19)16-9-6-15-7-10-16/h3-5,8,15H,6-7,9-11H2,1-2H3.
What are the key properties of 1-(2,2-dimethyl-3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one?
1-(2,2-dimethyl-3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one has a molecular weight of 263.34 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one is sourced from PubChem (CID 39147665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).