4-oxo-4-piperidin-1-yl-2-thiophen-2-ylbutanoic acid

C13H17NO3S — CID 82134004

IUPAC4-oxo-4-piperidin-1-yl-2-thiophen-2-ylbutanoic acid
SMILESO=C(O)C(CC(=O)N1CCCCC1)c1cccs1
InChIInChI=1S/C13H17NO3S/c15-12(14-6-2-1-3-7-14)9-10(13(16)17)11-5-4-8-18-11/h4-5,8,10H,1-3,6-7,9H2,(H,16,17)
InChIKeyCPVDNNOWMACECV-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.32
Rot. Bonds4

About 4-oxo-4-piperidin-1-yl-2-thiophen-2-ylbutanoic acid

4-oxo-4-piperidin-1-yl-2-thiophen-2-ylbutanoic acid (PubChem CID 82134004) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is 4-oxo-4-piperidin-1-yl-2-thiophen-2-ylbutanoic acid.

Molecular Properties

Compound Name4-oxo-4-piperidin-1-yl-2-thiophen-2-ylbutanoic acid
PubChem CID82134004
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name4-oxo-4-piperidin-1-yl-2-thiophen-2-ylbutanoic acid
SMILESO=C(O)C(CC(=O)N1CCCCC1)c1cccs1
InChIInChI=1S/C13H17NO3S/c15-12(14-6-2-1-3-7-14)9-10(13(16)17)11-5-4-8-18-11/h4-5,8,10H,1-3,6-7,9H2,(H,16,17)
InChIKeyCPVDNNOWMACECV-UHFFFAOYSA-N
XLogP2.32
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-oxo-4-pyrrolidin-1-yl-2-(thiophen-2-ylmethyl)butanoic acid
CID 82160128
4-amino-3-[methyl(1-thiophen-2-ylethyl)amino]-1-piperidin-1-ylbutan-1-one
CID 66432546
2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-1-piperidin-1-ylethanone
CID 60673756
3-(2-hydroxy-4,6-dimethoxyphenyl)-1-piperidin-1-yl-3-thiophen-2-ylpropan-1-one
CID 71509434
3-(dithiophen-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 43768081
4-(tert-butylamino)-4-oxo-2-thiophen-2-ylbutanoic acid
CID 70083216
1-pyrrolidin-1-yl-2-(1-thiophen-2-ylpropylamino)ethanone
CID 54964322
2-[[cyclopropyl(thiophen-2-yl)methyl]amino]-1-pyrrolidin-1-ylethanone
CID 113220009
2-thiophen-2-ylbutanoic acid;hydrochloride
CID 141021688
N-[3-oxo-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1-thiophen-2-ylpropyl]acetamide
CID 46575997
(3S)-1-(azepan-1-yl)-3-phenylbutan-1-one
CID 2164015
1-[4-(2-amino-2-thiophen-2-ylacetyl)piperazin-1-yl]-3-methylbutan-1-one
CID 115286671

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-piperidin-1-yl-2-thiophen-2-ylbutanoic acid?
The IUPAC name of 4-oxo-4-piperidin-1-yl-2-thiophen-2-ylbutanoic acid (CID 82134004) is 4-oxo-4-piperidin-1-yl-2-thiophen-2-ylbutanoic acid.
What is the SMILES notation for 4-oxo-4-piperidin-1-yl-2-thiophen-2-ylbutanoic acid?
The canonical SMILES for 4-oxo-4-piperidin-1-yl-2-thiophen-2-ylbutanoic acid is O=C(O)C(CC(=O)N1CCCCC1)c1cccs1.
What is the InChIKey of 4-oxo-4-piperidin-1-yl-2-thiophen-2-ylbutanoic acid?
The InChIKey is CPVDNNOWMACECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c15-12(14-6-2-1-3-7-14)9-10(13(16)17)11-5-4-8-18-11/h4-5,8,10H,1-3,6-7,9H2,(H,16,17).
What are the key properties of 4-oxo-4-piperidin-1-yl-2-thiophen-2-ylbutanoic acid?
4-oxo-4-piperidin-1-yl-2-thiophen-2-ylbutanoic acid has a molecular weight of 267.35 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-piperidin-1-yl-2-thiophen-2-ylbutanoic acid is sourced from PubChem (CID 82134004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).