5-butyl-1-(2-methylphenyl)piperazin-2-one

C15H22N2O — CID 57054566

IUPAC5-butyl-1-(2-methylphenyl)piperazin-2-one
SMILESCCCCC1CN(c2ccccc2C)C(=O)CN1
InChIInChI=1S/C15H22N2O/c1-3-4-8-13-11-17(15(18)10-16-13)14-9-6-5-7-12(14)2/h5-7,9,13,16H,3-4,8,10-11H2,1-2H3
InChIKeyMVKLCSXDKWJSIT-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.49
Rot. Bonds4

About 5-butyl-1-(2-methylphenyl)piperazin-2-one

5-butyl-1-(2-methylphenyl)piperazin-2-one (PubChem CID 57054566) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 5-butyl-1-(2-methylphenyl)piperazin-2-one.

Molecular Properties

Compound Name5-butyl-1-(2-methylphenyl)piperazin-2-one
PubChem CID57054566
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name5-butyl-1-(2-methylphenyl)piperazin-2-one
SMILESCCCCC1CN(c2ccccc2C)C(=O)CN1
InChIInChI=1S/C15H22N2O/c1-3-4-8-13-11-17(15(18)10-16-13)14-9-6-5-7-12(14)2/h5-7,9,13,16H,3-4,8,10-11H2,1-2H3
InChIKeyMVKLCSXDKWJSIT-UHFFFAOYSA-N
XLogP2.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-butyl-1-(2-methylphenyl)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 5-butyl-1-(2-methylphenyl)piperazin-2-one?
The IUPAC name of 5-butyl-1-(2-methylphenyl)piperazin-2-one (CID 57054566) is 5-butyl-1-(2-methylphenyl)piperazin-2-one.
What is the SMILES notation for 5-butyl-1-(2-methylphenyl)piperazin-2-one?
The canonical SMILES for 5-butyl-1-(2-methylphenyl)piperazin-2-one is CCCCC1CN(c2ccccc2C)C(=O)CN1.
What is the InChIKey of 5-butyl-1-(2-methylphenyl)piperazin-2-one?
The InChIKey is MVKLCSXDKWJSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-3-4-8-13-11-17(15(18)10-16-13)14-9-6-5-7-12(14)2/h5-7,9,13,16H,3-4,8,10-11H2,1-2H3.
What are the key properties of 5-butyl-1-(2-methylphenyl)piperazin-2-one?
5-butyl-1-(2-methylphenyl)piperazin-2-one has a molecular weight of 246.35 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-1-(2-methylphenyl)piperazin-2-one is sourced from PubChem (CID 57054566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).