4-(4-oxo-4-thiophen-2-ylbutyl)piperazin-2-one

C12H16N2O2S — CID 60692143

IUPAC4-(4-oxo-4-thiophen-2-ylbutyl)piperazin-2-one
SMILESO=C1CN(CCCC(=O)c2cccs2)CCN1
InChIInChI=1S/C12H16N2O2S/c15-10(11-4-2-8-17-11)3-1-6-14-7-5-13-12(16)9-14/h2,4,8H,1,3,5-7,9H2,(H,13,16)
InChIKeyNEVHOQBBWAVVCJ-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.14
Rot. Bonds5

About 4-(4-oxo-4-thiophen-2-ylbutyl)piperazin-2-one

4-(4-oxo-4-thiophen-2-ylbutyl)piperazin-2-one (PubChem CID 60692143) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 4-(4-oxo-4-thiophen-2-ylbutyl)piperazin-2-one.

Molecular Properties

Compound Name4-(4-oxo-4-thiophen-2-ylbutyl)piperazin-2-one
PubChem CID60692143
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name4-(4-oxo-4-thiophen-2-ylbutyl)piperazin-2-one
SMILESO=C1CN(CCCC(=O)c2cccs2)CCN1
InChIInChI=1S/C12H16N2O2S/c15-10(11-4-2-8-17-11)3-1-6-14-7-5-13-12(16)9-14/h2,4,8H,1,3,5-7,9H2,(H,13,16)
InChIKeyNEVHOQBBWAVVCJ-UHFFFAOYSA-N
XLogP1.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylbutan-1-one
CID 43229376
1-(2-oxo-2-thiophen-2-ylethyl)-1,4-diazepan-5-one
CID 63002735
1-thiophen-2-yl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-one
CID 62968235
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-butan-2-ylpiperazin-1-yl)-1-thiophen-2-ylbutan-1-one
CID 62773651
4-[3-(dimethylamino)pyrrolidin-1-yl]-1-thiophen-2-ylbutan-1-one
CID 63163843
3-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-one
CID 94270119
4-[3-(hydroxymethyl)piperidin-1-yl]-1-thiophen-2-ylbutan-1-one
CID 60688496
1-piperazin-1-yl-4-thiophen-2-ylbutane-1,4-dione;hydrochloride
CID 119400033
4-pyrazol-1-yl-1-thiophen-2-ylbutan-1-one
CID 43793295
4-[3-(2-hydroxyethyl)piperidin-1-yl]-1-thiophen-2-ylbutan-1-one
CID 107228085

Frequently Asked Questions

What is the IUPAC name of 4-(4-oxo-4-thiophen-2-ylbutyl)piperazin-2-one?
The IUPAC name of 4-(4-oxo-4-thiophen-2-ylbutyl)piperazin-2-one (CID 60692143) is 4-(4-oxo-4-thiophen-2-ylbutyl)piperazin-2-one.
What is the SMILES notation for 4-(4-oxo-4-thiophen-2-ylbutyl)piperazin-2-one?
The canonical SMILES for 4-(4-oxo-4-thiophen-2-ylbutyl)piperazin-2-one is O=C1CN(CCCC(=O)c2cccs2)CCN1.
What is the InChIKey of 4-(4-oxo-4-thiophen-2-ylbutyl)piperazin-2-one?
The InChIKey is NEVHOQBBWAVVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c15-10(11-4-2-8-17-11)3-1-6-14-7-5-13-12(16)9-14/h2,4,8H,1,3,5-7,9H2,(H,13,16).
What are the key properties of 4-(4-oxo-4-thiophen-2-ylbutyl)piperazin-2-one?
4-(4-oxo-4-thiophen-2-ylbutyl)piperazin-2-one has a molecular weight of 252.34 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-oxo-4-thiophen-2-ylbutyl)piperazin-2-one is sourced from PubChem (CID 60692143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).