4-(4-butan-2-ylpiperazin-1-yl)-1-thiophen-2-ylbutan-1-one

C16H26N2OS — CID 62773651

IUPAC4-(4-butan-2-ylpiperazin-1-yl)-1-thiophen-2-ylbutan-1-one
SMILESCCC(C)N1CCN(CCCC(=O)c2cccs2)CC1
InChIInChI=1S/C16H26N2OS/c1-3-14(2)18-11-9-17(10-12-18)8-4-6-15(19)16-7-5-13-20-16/h5,7,13-14H,3-4,6,8-12H2,1-2H3
InChIKeyUDCYFABPKUPQCD-UHFFFAOYSA-N
MW294.46 g/mol
LogP3.13
Rot. Bonds7

About 4-(4-butan-2-ylpiperazin-1-yl)-1-thiophen-2-ylbutan-1-one

4-(4-butan-2-ylpiperazin-1-yl)-1-thiophen-2-ylbutan-1-one (PubChem CID 62773651) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is 4-(4-butan-2-ylpiperazin-1-yl)-1-thiophen-2-ylbutan-1-one.

Molecular Properties

Compound Name4-(4-butan-2-ylpiperazin-1-yl)-1-thiophen-2-ylbutan-1-one
PubChem CID62773651
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name4-(4-butan-2-ylpiperazin-1-yl)-1-thiophen-2-ylbutan-1-one
SMILESCCC(C)N1CCN(CCCC(=O)c2cccs2)CC1
InChIInChI=1S/C16H26N2OS/c1-3-14(2)18-11-9-17(10-12-18)8-4-6-15(19)16-7-5-13-20-16/h5,7,13-14H,3-4,6,8-12H2,1-2H3
InChIKeyUDCYFABPKUPQCD-UHFFFAOYSA-N
XLogP3.13
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylbutan-1-one
CID 43229376
3-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-one
CID 94270119
1-thiophen-2-yl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-one
CID 62968235
3-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-one;dihydrochloride
CID 12739150
3-(4-acetylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-one
CID 82122856
(4-butan-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone;oxalic acid
CID 2880105
4-[3-(dimethylamino)pyrrolidin-1-yl]-1-thiophen-2-ylbutan-1-one
CID 63163843
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-oxo-4-thiophen-2-ylbutyl)piperazin-2-one
CID 60692143
3-thiomorpholin-4-yl-1-thiophen-2-ylpropan-1-one
CID 170859322
4-butan-2-ylsulfonyl-1-thiophen-2-ylbutan-1-one
CID 64643546

Frequently Asked Questions

What is the IUPAC name of 4-(4-butan-2-ylpiperazin-1-yl)-1-thiophen-2-ylbutan-1-one?
The IUPAC name of 4-(4-butan-2-ylpiperazin-1-yl)-1-thiophen-2-ylbutan-1-one (CID 62773651) is 4-(4-butan-2-ylpiperazin-1-yl)-1-thiophen-2-ylbutan-1-one.
What is the SMILES notation for 4-(4-butan-2-ylpiperazin-1-yl)-1-thiophen-2-ylbutan-1-one?
The canonical SMILES for 4-(4-butan-2-ylpiperazin-1-yl)-1-thiophen-2-ylbutan-1-one is CCC(C)N1CCN(CCCC(=O)c2cccs2)CC1.
What is the InChIKey of 4-(4-butan-2-ylpiperazin-1-yl)-1-thiophen-2-ylbutan-1-one?
The InChIKey is UDCYFABPKUPQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-3-14(2)18-11-9-17(10-12-18)8-4-6-15(19)16-7-5-13-20-16/h5,7,13-14H,3-4,6,8-12H2,1-2H3.
What are the key properties of 4-(4-butan-2-ylpiperazin-1-yl)-1-thiophen-2-ylbutan-1-one?
4-(4-butan-2-ylpiperazin-1-yl)-1-thiophen-2-ylbutan-1-one has a molecular weight of 294.46 g/mol, XLogP of 3.13, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butan-2-ylpiperazin-1-yl)-1-thiophen-2-ylbutan-1-one is sourced from PubChem (CID 62773651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).