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

C16H25N3O2S — CID 131916793

IUPAC2-[ethyl(methyl)amino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one
SMILESCCC(C(=O)N1CCN(C(=O)c2cccs2)CC1)N(C)CC
InChIInChI=1S/C16H25N3O2S/c1-4-13(17(3)5-2)15(20)18-8-10-19(11-9-18)16(21)14-7-6-12-22-14/h6-7,12-13H,4-5,8-11H2,1-3H3
InChIKeyUZVGBTZOHGQMCJ-UHFFFAOYSA-N
MW323.46 g/mol
LogP1.76
Rot. Bonds5

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

2-[ethyl(methyl)amino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one (PubChem CID 131916793) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is 2-[ethyl(methyl)amino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name2-[ethyl(methyl)amino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one
PubChem CID131916793
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC Name2-[ethyl(methyl)amino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one
SMILESCCC(C(=O)N1CCN(C(=O)c2cccs2)CC1)N(C)CC
InChIInChI=1S/C16H25N3O2S/c1-4-13(17(3)5-2)15(20)18-8-10-19(11-9-18)16(21)14-7-6-12-22-14/h6-7,12-13H,4-5,8-11H2,1-3H3
InChIKeyUZVGBTZOHGQMCJ-UHFFFAOYSA-N
XLogP1.76
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one
CID 110346934
(4-methylpiperazin-1-yl)-thiophen-2-ylmethanone;propane
CID 142296627
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-ethylpiperazin-4-ium-1-yl)-thiophen-2-ylmethanone
CID 6965529
(4,4-diethylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 64592496
(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(methyl)amino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one?
The IUPAC name of 2-[ethyl(methyl)amino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one (CID 131916793) is 2-[ethyl(methyl)amino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 2-[ethyl(methyl)amino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 2-[ethyl(methyl)amino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one is CCC(C(=O)N1CCN(C(=O)c2cccs2)CC1)N(C)CC.
What is the InChIKey of 2-[ethyl(methyl)amino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one?
The InChIKey is UZVGBTZOHGQMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2S/c1-4-13(17(3)5-2)15(20)18-8-10-19(11-9-18)16(21)14-7-6-12-22-14/h6-7,12-13H,4-5,8-11H2,1-3H3.
What are the key properties of 2-[ethyl(methyl)amino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one?
2-[ethyl(methyl)amino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one has a molecular weight of 323.46 g/mol, XLogP of 1.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(methyl)amino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one is sourced from PubChem (CID 131916793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).