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

C13H18N2O2S — CID 82122856

IUPAC3-(4-acetylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-one
SMILESCC(=O)N1CCN(CCC(=O)c2cccs2)CC1
InChIInChI=1S/C13H18N2O2S/c1-11(16)15-8-6-14(7-9-15)5-4-12(17)13-3-2-10-18-13/h2-3,10H,4-9H2,1H3
InChIKeyBKBNRTOLSIOSRD-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.49
Rot. Bonds4

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

3-(4-acetylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-one (PubChem CID 82122856) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 3-(4-acetylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name3-(4-acetylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-one
PubChem CID82122856
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name3-(4-acetylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-one
SMILESCC(=O)N1CCN(CCC(=O)c2cccs2)CC1
InChIInChI=1S/C13H18N2O2S/c1-11(16)15-8-6-14(7-9-15)5-4-12(17)13-3-2-10-18-13/h2-3,10H,4-9H2,1H3
InChIKeyBKBNRTOLSIOSRD-UHFFFAOYSA-N
XLogP1.49
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-one;dihydrochloride
CID 12739150
3-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-one
CID 94270119
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-ethylpiperazin-1-yl)-1-thiophen-2-ylbutan-1-one
CID 43229376
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
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
1-thiophen-2-ylpentane-1,4-dione
CID 2741853
methyl 4-(4-oxo-4-thiophen-2-ylbutanoyl)piperazine-1-carboxylate
CID 110346802
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]thiophene-2-carboxamide
CID 51180610
3-(4-phenyl-4-propoxypiperidin-1-yl)-1-thiophen-2-ylpropan-1-one;hydrochloride
CID 173455258

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-one?
The IUPAC name of 3-(4-acetylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-one (CID 82122856) is 3-(4-acetylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 3-(4-acetylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-one?
The canonical SMILES for 3-(4-acetylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-one is CC(=O)N1CCN(CCC(=O)c2cccs2)CC1.
What is the InChIKey of 3-(4-acetylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-one?
The InChIKey is BKBNRTOLSIOSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-11(16)15-8-6-14(7-9-15)5-4-12(17)13-3-2-10-18-13/h2-3,10H,4-9H2,1H3.
What are the key properties of 3-(4-acetylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-one?
3-(4-acetylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-one has a molecular weight of 266.37 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 82122856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).