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

C11H14N2O2S — CID 60635968

IUPAC1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C11H14N2O2S/c1-9(14)12-4-6-13(7-5-12)11(15)10-3-2-8-16-10/h2-3,8H,4-7H2,1H3
InChIKeyVSORHSQQVYIMDG-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.05
Rot. Bonds1

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

1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone (PubChem CID 60635968) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is 1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
PubChem CID60635968
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC Name1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C11H14N2O2S/c1-9(14)12-4-6-13(7-5-12)11(15)10-3-2-8-16-10/h2-3,8H,4-7H2,1H3
InChIKeyVSORHSQQVYIMDG-UHFFFAOYSA-N
XLogP1.05
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methylpiperazin-1-yl)-thiophen-2-ylmethanone;propane
CID 142296627
(4-aminopiperazin-1-yl)-thiophen-2-ylmethanone
CID 19791267
N-methyl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
CID 47127631
ethane;piperazin-1-yl(thiophen-2-yl)methanone
CID 142187928
(2R)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]propanoic acid
CID 28705160
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one
CID 60651403
ethane;(4-methylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 142506623
thiophen-2-yl-[4-(2,4,5-trimethylbenzoyl)piperazin-1-yl]methanone
CID 29023726
N-methyl-4-(thiophene-2-carbonyl)-1,4-diazepane-1-carboxamide
CID 97212820
2-ethyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one
CID 110346934
1H-pyrrol-2-yl-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
CID 110801970
[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 65466438

Frequently Asked Questions

What is the IUPAC name of 1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone (CID 60635968) is 1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of 1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is VSORHSQQVYIMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-9(14)12-4-6-13(7-5-12)11(15)10-3-2-8-16-10/h2-3,8H,4-7H2,1H3.
What are the key properties of 1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone?
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 238.31 g/mol, XLogP of 1.05, 1 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]ethanone is sourced from PubChem (CID 60635968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).