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

C15H22N2O2S — CID 110346934

IUPAC2-ethyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one
SMILESCCC(CC)C(=O)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C15H22N2O2S/c1-3-12(4-2)14(18)16-7-9-17(10-8-16)15(19)13-6-5-11-20-13/h5-6,11-12H,3-4,7-10H2,1-2H3
InChIKeyHOFSXTMVPPVSBH-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.47
Rot. Bonds4

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

2-ethyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one (PubChem CID 110346934) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-ethyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name2-ethyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one
PubChem CID110346934
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name2-ethyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one
SMILESCCC(CC)C(=O)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C15H22N2O2S/c1-3-12(4-2)14(18)16-7-9-17(10-8-16)15(19)13-6-5-11-20-13/h5-6,11-12H,3-4,7-10H2,1-2H3
InChIKeyHOFSXTMVPPVSBH-UHFFFAOYSA-N
XLogP2.47
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methylpiperazin-1-yl)-thiophen-2-ylmethanone;propane
CID 142296627
2-[ethyl(methyl)amino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one
CID 131916793
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
(4-butan-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone;oxalic acid
CID 2880105
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one
CID 60651403
5-amino-2-methyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]pentan-1-one
CID 104684820
2-methyl-3-pyrazol-1-yl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one
CID 131950339
[4-(2-hydroxypropyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 82120170
(4,4-diethylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 64592496
(4-ethylpiperazin-4-ium-1-yl)-thiophen-2-ylmethanone
CID 6965529
(2R)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]propanoic acid
CID 28705160
(4-aminopiperazin-1-yl)-thiophen-2-ylmethanone
CID 19791267

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one?
The IUPAC name of 2-ethyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one (CID 110346934) is 2-ethyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 2-ethyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 2-ethyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one is CCC(CC)C(=O)N1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of 2-ethyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one?
The InChIKey is HOFSXTMVPPVSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-3-12(4-2)14(18)16-7-9-17(10-8-16)15(19)13-6-5-11-20-13/h5-6,11-12H,3-4,7-10H2,1-2H3.
What are the key properties of 2-ethyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one?
2-ethyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one has a molecular weight of 294.42 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one is sourced from PubChem (CID 110346934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).