1-[2-[3-(2-methylpropyl)piperazin-1-yl]ethyl]pyridin-2-one

C15H25N3O — CID 82907814

IUPAC1-[2-[3-(2-methylpropyl)piperazin-1-yl]ethyl]pyridin-2-one
SMILESCC(C)CC1CN(CCn2ccccc2=O)CCN1
InChIInChI=1S/C15H25N3O/c1-13(2)11-14-12-17(8-6-16-14)9-10-18-7-4-3-5-15(18)19/h3-5,7,13-14,16H,6,8-12H2,1-2H3
InChIKeyJNEOJSRHPKUMCW-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.17
Rot. Bonds5

About 1-[2-[3-(2-methylpropyl)piperazin-1-yl]ethyl]pyridin-2-one

1-[2-[3-(2-methylpropyl)piperazin-1-yl]ethyl]pyridin-2-one (PubChem CID 82907814) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[2-[3-(2-methylpropyl)piperazin-1-yl]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[3-(2-methylpropyl)piperazin-1-yl]ethyl]pyridin-2-one
PubChem CID82907814
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-[2-[3-(2-methylpropyl)piperazin-1-yl]ethyl]pyridin-2-one
SMILESCC(C)CC1CN(CCn2ccccc2=O)CCN1
InChIInChI=1S/C15H25N3O/c1-13(2)11-14-12-17(8-6-16-14)9-10-18-7-4-3-5-15(18)19/h3-5,7,13-14,16H,6,8-12H2,1-2H3
InChIKeyJNEOJSRHPKUMCW-UHFFFAOYSA-N
XLogP1.17
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(2-methylpropyl)piperazin-1-yl]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[3-(2-methylpropyl)piperazin-1-yl]ethyl]pyridin-2-one (CID 82907814) is 1-[2-[3-(2-methylpropyl)piperazin-1-yl]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[3-(2-methylpropyl)piperazin-1-yl]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[3-(2-methylpropyl)piperazin-1-yl]ethyl]pyridin-2-one is CC(C)CC1CN(CCn2ccccc2=O)CCN1.
What is the InChIKey of 1-[2-[3-(2-methylpropyl)piperazin-1-yl]ethyl]pyridin-2-one?
The InChIKey is JNEOJSRHPKUMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-13(2)11-14-12-17(8-6-16-14)9-10-18-7-4-3-5-15(18)19/h3-5,7,13-14,16H,6,8-12H2,1-2H3.
What are the key properties of 1-[2-[3-(2-methylpropyl)piperazin-1-yl]ethyl]pyridin-2-one?
1-[2-[3-(2-methylpropyl)piperazin-1-yl]ethyl]pyridin-2-one has a molecular weight of 263.38 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(2-methylpropyl)piperazin-1-yl]ethyl]pyridin-2-one is sourced from PubChem (CID 82907814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).