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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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).