(3S)-3-butyl-4-(2-pyridin-4-ylethyl)piperazin-2-one

C15H23N3O — CID 95974116

IUPAC(3S)-3-butyl-4-(2-pyridin-4-ylethyl)piperazin-2-one
SMILESCCCC[C@H]1C(=O)NCCN1CCc1ccncc1
InChIInChI=1S/C15H23N3O/c1-2-3-4-14-15(19)17-10-12-18(14)11-7-13-5-8-16-9-6-13/h5-6,8-9,14H,2-4,7,10-12H2,1H3,(H,17,19)/t14-/m0/s1
InChIKeyWFZLUNLZNCWZTR-AWEZNQCLSA-N
MW261.37 g/mol
LogP1.61
Rot. Bonds6

About (3S)-3-butyl-4-(2-pyridin-4-ylethyl)piperazin-2-one

(3S)-3-butyl-4-(2-pyridin-4-ylethyl)piperazin-2-one (PubChem CID 95974116) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is (3S)-3-butyl-4-(2-pyridin-4-ylethyl)piperazin-2-one.

Molecular Properties

Compound Name(3S)-3-butyl-4-(2-pyridin-4-ylethyl)piperazin-2-one
PubChem CID95974116
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name(3S)-3-butyl-4-(2-pyridin-4-ylethyl)piperazin-2-one
SMILESCCCC[C@H]1C(=O)NCCN1CCc1ccncc1
InChIInChI=1S/C15H23N3O/c1-2-3-4-14-15(19)17-10-12-18(14)11-7-13-5-8-16-9-6-13/h5-6,8-9,14H,2-4,7,10-12H2,1H3,(H,17,19)/t14-/m0/s1
InChIKeyWFZLUNLZNCWZTR-AWEZNQCLSA-N
XLogP1.61
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-3-butyl-4-(2-pyridin-4-ylethyl)piperazin-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 (3S)-3-butyl-4-(2-pyridin-4-ylethyl)piperazin-2-one?
The IUPAC name of (3S)-3-butyl-4-(2-pyridin-4-ylethyl)piperazin-2-one (CID 95974116) is (3S)-3-butyl-4-(2-pyridin-4-ylethyl)piperazin-2-one.
What is the SMILES notation for (3S)-3-butyl-4-(2-pyridin-4-ylethyl)piperazin-2-one?
The canonical SMILES for (3S)-3-butyl-4-(2-pyridin-4-ylethyl)piperazin-2-one is CCCC[C@H]1C(=O)NCCN1CCc1ccncc1.
What is the InChIKey of (3S)-3-butyl-4-(2-pyridin-4-ylethyl)piperazin-2-one?
The InChIKey is WFZLUNLZNCWZTR-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H23N3O/c1-2-3-4-14-15(19)17-10-12-18(14)11-7-13-5-8-16-9-6-13/h5-6,8-9,14H,2-4,7,10-12H2,1H3,(H,17,19)/t14-/m0/s1.
What are the key properties of (3S)-3-butyl-4-(2-pyridin-4-ylethyl)piperazin-2-one?
(3S)-3-butyl-4-(2-pyridin-4-ylethyl)piperazin-2-one has a molecular weight of 261.37 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-butyl-4-(2-pyridin-4-ylethyl)piperazin-2-one is sourced from PubChem (CID 95974116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).