5-methyl-1-(1-oxo-1-piperazin-1-ylbutan-2-yl)pyridin-2-one

C14H21N3O2 — CID 82031720

IUPAC5-methyl-1-(1-oxo-1-piperazin-1-ylbutan-2-yl)pyridin-2-one
SMILESCCC(C(=O)N1CCNCC1)n1cc(C)ccc1=O
InChIInChI=1S/C14H21N3O2/c1-3-12(14(19)16-8-6-15-7-9-16)17-10-11(2)4-5-13(17)18/h4-5,10,12,15H,3,6-9H2,1-2H3
InChIKeyNRLJSHVIXLRZND-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.54
Rot. Bonds3

About 5-methyl-1-(1-oxo-1-piperazin-1-ylbutan-2-yl)pyridin-2-one

5-methyl-1-(1-oxo-1-piperazin-1-ylbutan-2-yl)pyridin-2-one (PubChem CID 82031720) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-methyl-1-(1-oxo-1-piperazin-1-ylbutan-2-yl)pyridin-2-one.

Molecular Properties

Compound Name5-methyl-1-(1-oxo-1-piperazin-1-ylbutan-2-yl)pyridin-2-one
PubChem CID82031720
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name5-methyl-1-(1-oxo-1-piperazin-1-ylbutan-2-yl)pyridin-2-one
SMILESCCC(C(=O)N1CCNCC1)n1cc(C)ccc1=O
InChIInChI=1S/C14H21N3O2/c1-3-12(14(19)16-8-6-15-7-9-16)17-10-11(2)4-5-13(17)18/h4-5,10,12,15H,3,6-9H2,1-2H3
InChIKeyNRLJSHVIXLRZND-UHFFFAOYSA-N
XLogP0.54
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 ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(1-oxo-1-piperazin-1-ylbutan-2-yl)pyridin-2-one?
The IUPAC name of 5-methyl-1-(1-oxo-1-piperazin-1-ylbutan-2-yl)pyridin-2-one (CID 82031720) is 5-methyl-1-(1-oxo-1-piperazin-1-ylbutan-2-yl)pyridin-2-one.
What is the SMILES notation for 5-methyl-1-(1-oxo-1-piperazin-1-ylbutan-2-yl)pyridin-2-one?
The canonical SMILES for 5-methyl-1-(1-oxo-1-piperazin-1-ylbutan-2-yl)pyridin-2-one is CCC(C(=O)N1CCNCC1)n1cc(C)ccc1=O.
What is the InChIKey of 5-methyl-1-(1-oxo-1-piperazin-1-ylbutan-2-yl)pyridin-2-one?
The InChIKey is NRLJSHVIXLRZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-3-12(14(19)16-8-6-15-7-9-16)17-10-11(2)4-5-13(17)18/h4-5,10,12,15H,3,6-9H2,1-2H3.
What are the key properties of 5-methyl-1-(1-oxo-1-piperazin-1-ylbutan-2-yl)pyridin-2-one?
5-methyl-1-(1-oxo-1-piperazin-1-ylbutan-2-yl)pyridin-2-one has a molecular weight of 263.34 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(1-oxo-1-piperazin-1-ylbutan-2-yl)pyridin-2-one is sourced from PubChem (CID 82031720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).