4-(5-ethylthiophen-2-yl)-3-methyl-1-piperazin-1-ylbutan-1-one

C15H24N2OS — CID 83929402

IUPAC4-(5-ethylthiophen-2-yl)-3-methyl-1-piperazin-1-ylbutan-1-one
SMILESCCc1ccc(CC(C)CC(=O)N2CCNCC2)s1
InChIInChI=1S/C15H24N2OS/c1-3-13-4-5-14(19-13)10-12(2)11-15(18)17-8-6-16-7-9-17/h4-5,12,16H,3,6-11H2,1-2H3
InChIKeyVQDUYZFCSSXVAI-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.31
Rot. Bonds5

About 4-(5-ethylthiophen-2-yl)-3-methyl-1-piperazin-1-ylbutan-1-one

4-(5-ethylthiophen-2-yl)-3-methyl-1-piperazin-1-ylbutan-1-one (PubChem CID 83929402) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 4-(5-ethylthiophen-2-yl)-3-methyl-1-piperazin-1-ylbutan-1-one.

Molecular Properties

Compound Name4-(5-ethylthiophen-2-yl)-3-methyl-1-piperazin-1-ylbutan-1-one
PubChem CID83929402
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name4-(5-ethylthiophen-2-yl)-3-methyl-1-piperazin-1-ylbutan-1-one
SMILESCCc1ccc(CC(C)CC(=O)N2CCNCC2)s1
InChIInChI=1S/C15H24N2OS/c1-3-13-4-5-14(19-13)10-12(2)11-15(18)17-8-6-16-7-9-17/h4-5,12,16H,3,6-11H2,1-2H3
InChIKeyVQDUYZFCSSXVAI-UHFFFAOYSA-N
XLogP2.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(5-ethylthiophen-2-yl)-3-methyl-1-piperazin-1-ylbutan-1-one with MolForge

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

Launch Full Analysis

Related Compounds

4-(4-chlorophenyl)-3-methyl-1-piperazin-1-ylbutan-1-one
CID 83931157
4-(5-tert-butyl-2-methylphenyl)-3-methyl-1-piperazin-1-ylbutan-1-one
CID 83935353
4-(2-chloro-6-fluorophenyl)-3-methyl-1-piperazin-1-ylbutan-1-one
CID 83925251
4-amino-3-methyl-1-piperazin-1-ylbutan-1-one
CID 81072124
3-methyl-4-(5-methyl-2-propoxyphenyl)-1-piperazin-1-ylbutan-1-one
CID 83933523
4-(4-methoxy-2,5-dimethylphenyl)-3-methyl-1-piperazin-1-ylbutan-1-one
CID 83927800
2-[4-(2-methylpropyl)phenyl]-1-piperazin-1-ylethanone
CID 82132922
2-(5-ethylfuran-2-yl)-1-piperazin-1-ylethanone
CID 82509435
3-hydroxy-1-piperazin-1-ylbutan-1-one
CID 10583332
(3R)-3,5,5-trimethyl-1-piperazin-1-ylhexan-1-one
CID 93256892
2-(5-ethylthiophen-2-yl)-1-(4-methylpiperidin-4-yl)ethanone
CID 116567731
2-(5-chlorothiophen-2-yl)-1-piperazin-1-ylethanone
CID 82130418

Frequently Asked Questions

What is the IUPAC name of 4-(5-ethylthiophen-2-yl)-3-methyl-1-piperazin-1-ylbutan-1-one?
The IUPAC name of 4-(5-ethylthiophen-2-yl)-3-methyl-1-piperazin-1-ylbutan-1-one (CID 83929402) is 4-(5-ethylthiophen-2-yl)-3-methyl-1-piperazin-1-ylbutan-1-one.
What is the SMILES notation for 4-(5-ethylthiophen-2-yl)-3-methyl-1-piperazin-1-ylbutan-1-one?
The canonical SMILES for 4-(5-ethylthiophen-2-yl)-3-methyl-1-piperazin-1-ylbutan-1-one is CCc1ccc(CC(C)CC(=O)N2CCNCC2)s1.
What is the InChIKey of 4-(5-ethylthiophen-2-yl)-3-methyl-1-piperazin-1-ylbutan-1-one?
The InChIKey is VQDUYZFCSSXVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-3-13-4-5-14(19-13)10-12(2)11-15(18)17-8-6-16-7-9-17/h4-5,12,16H,3,6-11H2,1-2H3.
What are the key properties of 4-(5-ethylthiophen-2-yl)-3-methyl-1-piperazin-1-ylbutan-1-one?
4-(5-ethylthiophen-2-yl)-3-methyl-1-piperazin-1-ylbutan-1-one has a molecular weight of 280.44 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethylthiophen-2-yl)-3-methyl-1-piperazin-1-ylbutan-1-one is sourced from PubChem (CID 83929402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).