1-(4-thiophen-2-ylbutanoyl)piperidin-4-one

C13H17NO2S — CID 24699800

IUPAC1-(4-thiophen-2-ylbutanoyl)piperidin-4-one
SMILESO=C1CCN(C(=O)CCCc2cccs2)CC1
InChIInChI=1S/C13H17NO2S/c15-11-6-8-14(9-7-11)13(16)5-1-3-12-4-2-10-17-12/h2,4,10H,1,3,5-9H2
InChIKeyWJGZBTJVWSCDOS-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.26
Rot. Bonds4

About 1-(4-thiophen-2-ylbutanoyl)piperidin-4-one

1-(4-thiophen-2-ylbutanoyl)piperidin-4-one (PubChem CID 24699800) has the molecular formula C13H17NO2S and a molecular weight of 251.35 g/mol. Its IUPAC name is 1-(4-thiophen-2-ylbutanoyl)piperidin-4-one.

Molecular Properties

Compound Name1-(4-thiophen-2-ylbutanoyl)piperidin-4-one
PubChem CID24699800
Molecular FormulaC13H17NO2S
Molecular Weight251.35 g/mol
Exact Mass251.10
IUPAC Name1-(4-thiophen-2-ylbutanoyl)piperidin-4-one
SMILESO=C1CCN(C(=O)CCCc2cccs2)CC1
InChIInChI=1S/C13H17NO2S/c15-11-6-8-14(9-7-11)13(16)5-1-3-12-4-2-10-17-12/h2,4,10H,1,3,5-9H2
InChIKeyWJGZBTJVWSCDOS-UHFFFAOYSA-N
XLogP2.26
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Oxo-4-thiophen-2-ylbutanoyl)piperidine-4-carboxamide
CID 4782776
Morpholine, 4-(2-thienylacetyl)-
CID 531781
2-(1-Methylpiperidin-2-yl)-1-thiophen-2-ylethanone
CID 44349982
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
3-(1,1-Dimethylpiperidin-1-ium-2-yl)-1-thiophen-2-ylpropan-1-one
CID 44349879
3-(1-Methylpiperidin-2-yl)-1-thiophen-2-ylpropan-1-one
CID 44349944
N-ethyl-N-methyl-4-oxo-4-thiophen-2-ylbutanamide
CID 60430414
1-[4-(1-Methylpiperidin-3-yl)piperazin-1-yl]-4-(5-methylthiophen-2-yl)butan-1-one
CID 71976315
1-Pyrrolidin-1-yl-7-thiophen-2-ylheptan-1-one
CID 155523085
1-(4-Cyclohexylpiperazin-1-yl)-4-thiophen-2-ylbutan-1-one
CID 162676750

Frequently Asked Questions

What is the IUPAC name of 1-(4-thiophen-2-ylbutanoyl)piperidin-4-one?
The IUPAC name of 1-(4-thiophen-2-ylbutanoyl)piperidin-4-one (CID 24699800) is 1-(4-thiophen-2-ylbutanoyl)piperidin-4-one.
What is the SMILES notation for 1-(4-thiophen-2-ylbutanoyl)piperidin-4-one?
The canonical SMILES for 1-(4-thiophen-2-ylbutanoyl)piperidin-4-one is O=C1CCN(C(=O)CCCc2cccs2)CC1.
What is the InChIKey of 1-(4-thiophen-2-ylbutanoyl)piperidin-4-one?
The InChIKey is WJGZBTJVWSCDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2S/c15-11-6-8-14(9-7-11)13(16)5-1-3-12-4-2-10-17-12/h2,4,10H,1,3,5-9H2.
What are the key properties of 1-(4-thiophen-2-ylbutanoyl)piperidin-4-one?
1-(4-thiophen-2-ylbutanoyl)piperidin-4-one has a molecular weight of 251.35 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-thiophen-2-ylbutanoyl)piperidin-4-one is sourced from PubChem (CID 24699800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).