3-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-one

C13H20N2OS — CID 94270119

IUPAC3-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-one
SMILESCCN1CCN(CCC(=O)c2cccs2)CC1
InChIInChI=1S/C13H20N2OS/c1-2-14-7-9-15(10-8-14)6-5-12(16)13-4-3-11-17-13/h3-4,11H,2,5-10H2,1H3
InChIKeyGZSOCDQXBUNPSM-UHFFFAOYSA-N
MW252.38 g/mol
LogP1.96
Rot. Bonds5

About 3-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-one

3-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-one (PubChem CID 94270119) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 3-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name3-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-one
PubChem CID94270119
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name3-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-one
SMILESCCN1CCN(CCC(=O)c2cccs2)CC1
InChIInChI=1S/C13H20N2OS/c1-2-14-7-9-15(10-8-14)6-5-12(16)13-4-3-11-17-13/h3-4,11H,2,5-10H2,1H3
InChIKeyGZSOCDQXBUNPSM-UHFFFAOYSA-N
XLogP1.96
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylbutan-1-one
CID 43229376
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
3-thiomorpholin-4-yl-1-thiophen-2-ylpropan-1-one
CID 170859322
3-morpholin-4-yl-1-thiophen-2-ylpropan-1-one;hydrochloride
CID 3022656
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
N-[3-[3-(4-ethylpiperazin-1-yl)propylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 55660267
3-(4-phenyl-4-propoxypiperidin-1-yl)-1-thiophen-2-ylpropan-1-one;hydrochloride
CID 173455258
1-methyl-3-(4-oxo-4-thiophen-2-ylbutyl)imidazolidin-2-one
CID 62491674
N-(4-ethylpiperazine-1-carbothioyl)thiophene-2-carboxamide
CID 801818
3-(4-ethylpiperazin-1-yl)-N-(2-thiophen-2-ylpropan-2-yl)propanamide
CID 71866753

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-one?
The IUPAC name of 3-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-one (CID 94270119) is 3-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 3-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-one?
The canonical SMILES for 3-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-one is CCN1CCN(CCC(=O)c2cccs2)CC1.
What is the InChIKey of 3-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-one?
The InChIKey is GZSOCDQXBUNPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-2-14-7-9-15(10-8-14)6-5-12(16)13-4-3-11-17-13/h3-4,11H,2,5-10H2,1H3.
What are the key properties of 3-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-one?
3-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-one has a molecular weight of 252.38 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 94270119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).