1-[2-(3-butan-2-ylpiperazin-1-yl)ethyl]pyridin-2-one

C15H25N3O — CID 82907056

IUPAC1-[2-(3-butan-2-ylpiperazin-1-yl)ethyl]pyridin-2-one
SMILESCCC(C)C1CN(CCn2ccccc2=O)CCN1
InChIInChI=1S/C15H25N3O/c1-3-13(2)14-12-17(9-7-16-14)10-11-18-8-5-4-6-15(18)19/h4-6,8,13-14,16H,3,7,9-12H2,1-2H3
InChIKeyLHDDDMYHJYTPSE-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.17
Rot. Bonds5

About 1-[2-(3-butan-2-ylpiperazin-1-yl)ethyl]pyridin-2-one

1-[2-(3-butan-2-ylpiperazin-1-yl)ethyl]pyridin-2-one (PubChem CID 82907056) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[2-(3-butan-2-ylpiperazin-1-yl)ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(3-butan-2-ylpiperazin-1-yl)ethyl]pyridin-2-one
PubChem CID82907056
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-[2-(3-butan-2-ylpiperazin-1-yl)ethyl]pyridin-2-one
SMILESCCC(C)C1CN(CCn2ccccc2=O)CCN1
InChIInChI=1S/C15H25N3O/c1-3-13(2)14-12-17(9-7-16-14)10-11-18-8-5-4-6-15(18)19/h4-6,8,13-14,16H,3,7,9-12H2,1-2H3
InChIKeyLHDDDMYHJYTPSE-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

Analyze 1-[2-(3-butan-2-ylpiperazin-1-yl)ethyl]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-butan-2-ylpiperazin-1-yl)ethyl]pyridin-2-one?
The IUPAC name of 1-[2-(3-butan-2-ylpiperazin-1-yl)ethyl]pyridin-2-one (CID 82907056) is 1-[2-(3-butan-2-ylpiperazin-1-yl)ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-(3-butan-2-ylpiperazin-1-yl)ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-(3-butan-2-ylpiperazin-1-yl)ethyl]pyridin-2-one is CCC(C)C1CN(CCn2ccccc2=O)CCN1.
What is the InChIKey of 1-[2-(3-butan-2-ylpiperazin-1-yl)ethyl]pyridin-2-one?
The InChIKey is LHDDDMYHJYTPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-3-13(2)14-12-17(9-7-16-14)10-11-18-8-5-4-6-15(18)19/h4-6,8,13-14,16H,3,7,9-12H2,1-2H3.
What are the key properties of 1-[2-(3-butan-2-ylpiperazin-1-yl)ethyl]pyridin-2-one?
1-[2-(3-butan-2-ylpiperazin-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-butan-2-ylpiperazin-1-yl)ethyl]pyridin-2-one is sourced from PubChem (CID 82907056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).