4-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylbutan-1-one

C14H22N2OS — CID 43229376

IUPAC4-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylbutan-1-one
SMILESCCN1CCN(CCCC(=O)c2cccs2)CC1
InChIInChI=1S/C14H22N2OS/c1-2-15-8-10-16(11-9-15)7-3-5-13(17)14-6-4-12-18-14/h4,6,12H,2-3,5,7-11H2,1H3
InChIKeyWATLNABNAVINRM-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.35
Rot. Bonds6

About 4-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylbutan-1-one

4-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylbutan-1-one (PubChem CID 43229376) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 4-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylbutan-1-one.

Molecular Properties

Compound Name4-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylbutan-1-one
PubChem CID43229376
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name4-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylbutan-1-one
SMILESCCN1CCN(CCCC(=O)c2cccs2)CC1
InChIInChI=1S/C14H22N2OS/c1-2-15-8-10-16(11-9-15)7-3-5-13(17)14-6-4-12-18-14/h4,6,12H,2-3,5,7-11H2,1H3
InChIKeyWATLNABNAVINRM-UHFFFAOYSA-N
XLogP2.35
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(4-ethylpiperazin-1-yl)-1-thiophen-2-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

3-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-one
CID 94270119
4-(4-butan-2-ylpiperazin-1-yl)-1-thiophen-2-ylbutan-1-one
CID 62773651
1-thiophen-2-yl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-one
CID 62968235
3-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-one;dihydrochloride
CID 12739150
3-(4-acetylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-one
CID 82122856
4-[3-(dimethylamino)pyrrolidin-1-yl]-1-thiophen-2-ylbutan-1-one
CID 63163843
N-[3-[3-(4-ethylpiperazin-1-yl)propylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 55660267
1-methyl-3-(4-oxo-4-thiophen-2-ylbutyl)imidazolidin-2-one
CID 62491674
4-[3-(hydroxymethyl)pyrrolidin-1-yl]-1-thiophen-2-ylbutan-1-one
CID 112626449
4-(4-oxo-4-thiophen-2-ylbutyl)piperazin-2-one
CID 60692143
3-thiomorpholin-4-yl-1-thiophen-2-ylpropan-1-one
CID 170859322
4-(3-methoxy-4-methylpiperidin-1-yl)-1-thiophen-2-ylbutan-1-one
CID 102960564

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylbutan-1-one?
The IUPAC name of 4-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylbutan-1-one (CID 43229376) is 4-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylbutan-1-one.
What is the SMILES notation for 4-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylbutan-1-one?
The canonical SMILES for 4-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylbutan-1-one is CCN1CCN(CCCC(=O)c2cccs2)CC1.
What is the InChIKey of 4-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylbutan-1-one?
The InChIKey is WATLNABNAVINRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-2-15-8-10-16(11-9-15)7-3-5-13(17)14-6-4-12-18-14/h4,6,12H,2-3,5,7-11H2,1H3.
What are the key properties of 4-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylbutan-1-one?
4-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylbutan-1-one has a molecular weight of 266.41 g/mol, XLogP of 2.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylbutan-1-one is sourced from PubChem (CID 43229376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).