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

C15H24N2OS — CID 21025394

IUPAC1-(4-propan-2-ylpiperazin-1-yl)-4-thiophen-2-ylbutan-1-one
SMILESCC(C)N1CCN(C(=O)CCCc2cccs2)CC1
InChIInChI=1S/C15H24N2OS/c1-13(2)16-8-10-17(11-9-16)15(18)7-3-5-14-6-4-12-19-14/h4,6,12-13H,3,5,7-11H2,1-2H3
InChIKeyANIPIQKWRCJODY-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.62
Rot. Bonds5

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

1-(4-propan-2-ylpiperazin-1-yl)-4-thiophen-2-ylbutan-1-one (PubChem CID 21025394) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 1-(4-propan-2-ylpiperazin-1-yl)-4-thiophen-2-ylbutan-1-one.

Molecular Properties

Compound Name1-(4-propan-2-ylpiperazin-1-yl)-4-thiophen-2-ylbutan-1-one
PubChem CID21025394
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name1-(4-propan-2-ylpiperazin-1-yl)-4-thiophen-2-ylbutan-1-one
SMILESCC(C)N1CCN(C(=O)CCCc2cccs2)CC1
InChIInChI=1S/C15H24N2OS/c1-13(2)16-8-10-17(11-9-16)15(18)7-3-5-14-6-4-12-19-14/h4,6,12-13H,3,5,7-11H2,1-2H3
InChIKeyANIPIQKWRCJODY-UHFFFAOYSA-N
XLogP2.62
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-propan-2-ylpiperazin-1-yl)-4-thiophen-2-ylbutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]-4-thiophen-2-ylbutan-1-one
CID 15080767
1-(Methylsulfonyl)-4-(2-thienylacetyl)piperazine
CID 1246104
N-methyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]-2-thiophen-2-ylacetamide;hydrochloride
CID 45263010
(S)-2-amino-N-(cyanomethyl)-3-(thiophen-2-yl)propanamide
CID 46883395
[4-(Propan-2-yl)piperazin-1-yl](thiophen-2-yl)methanone
CID 764856
N-methyl-N-[(1S,2R)-2-pyrrolidin-1-ylcyclohexyl]-2-thiophen-2-ylacetamide
CID 14040442
1-(Piperazin-1-yl)-2-(thiophen-2-yl)ethan-1-one
CID 16769420
2-(1-Methylpiperidin-2-yl)-1-thiophen-2-ylethanone
CID 44349982
2-(Cyclopentylthio)-1-(4-(2-(thiophen-2-yl)cyclopropanecarbonyl)piperazin-1-yl)ethanone
CID 45587635
1-(4-Methylpiperazin-1-yl)-4-(thiophen-2-yl)butan-1-one
CID 60634783
N-butyl-N-ethyl-2-(2-thienyl)acetamide
CID 2166904
2-Thiopheneacetamide, N,N-dibutyl-
CID 532844

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylpiperazin-1-yl)-4-thiophen-2-ylbutan-1-one?
The IUPAC name of 1-(4-propan-2-ylpiperazin-1-yl)-4-thiophen-2-ylbutan-1-one (CID 21025394) is 1-(4-propan-2-ylpiperazin-1-yl)-4-thiophen-2-ylbutan-1-one.
What is the SMILES notation for 1-(4-propan-2-ylpiperazin-1-yl)-4-thiophen-2-ylbutan-1-one?
The canonical SMILES for 1-(4-propan-2-ylpiperazin-1-yl)-4-thiophen-2-ylbutan-1-one is CC(C)N1CCN(C(=O)CCCc2cccs2)CC1.
What is the InChIKey of 1-(4-propan-2-ylpiperazin-1-yl)-4-thiophen-2-ylbutan-1-one?
The InChIKey is ANIPIQKWRCJODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-13(2)16-8-10-17(11-9-16)15(18)7-3-5-14-6-4-12-19-14/h4,6,12-13H,3,5,7-11H2,1-2H3.
What are the key properties of 1-(4-propan-2-ylpiperazin-1-yl)-4-thiophen-2-ylbutan-1-one?
1-(4-propan-2-ylpiperazin-1-yl)-4-thiophen-2-ylbutan-1-one has a molecular weight of 280.44 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylpiperazin-1-yl)-4-thiophen-2-ylbutan-1-one is sourced from PubChem (CID 21025394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).