1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one

C13H18N2O2S — CID 60651403

IUPAC1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C13H18N2O2S/c1-2-4-12(16)14-6-8-15(9-7-14)13(17)11-5-3-10-18-11/h3,5,10H,2,4,6-9H2,1H3
InChIKeyAERMOEVTYCZNEK-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.83
Rot. Bonds3

About 1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one

1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one (PubChem CID 60651403) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one
PubChem CID60651403
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C13H18N2O2S/c1-2-4-12(16)14-6-8-15(9-7-14)13(17)11-5-3-10-18-11/h3,5,10H,2,4,6-9H2,1H3
InChIKeyAERMOEVTYCZNEK-UHFFFAOYSA-N
XLogP1.83
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]butanoic acid
CID 28708467
ethyl 4-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]butanoate
CID 108569593
(4-methylpiperazin-1-yl)-thiophen-2-ylmethanone;propane
CID 142296627
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
1-phenyl-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]butane-1,4-dione
CID 9022754
2-ethyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one
CID 110346934
3-(2-aminophenyl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one
CID 120608216
ethane;piperazin-1-yl(thiophen-2-yl)methanone
CID 142187928
N-[3-oxo-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]propyl]benzamide
CID 18115079
2-(2-ethoxyphenoxy)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 108535595
(4-ethylpiperazin-4-ium-1-yl)-thiophen-2-ylmethanone
CID 6965529
(4,4-diethylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 64592496

Frequently Asked Questions

What is the IUPAC name of 1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one?
The IUPAC name of 1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one (CID 60651403) is 1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one is CCCC(=O)N1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of 1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one?
The InChIKey is AERMOEVTYCZNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-2-4-12(16)14-6-8-15(9-7-14)13(17)11-5-3-10-18-11/h3,5,10H,2,4,6-9H2,1H3.
What are the key properties of 1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one?
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one has a molecular weight of 266.37 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one is sourced from PubChem (CID 60651403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).