4-oxo-4-(4-thiophen-2-ylpiperidin-1-yl)butanoic acid

C13H17NO3S — CID 82134002

IUPAC4-oxo-4-(4-thiophen-2-ylpiperidin-1-yl)butanoic acid
SMILESO=C(O)CCC(=O)N1CCC(c2cccs2)CC1
InChIInChI=1S/C13H17NO3S/c15-12(3-4-13(16)17)14-7-5-10(6-8-14)11-2-1-9-18-11/h1-2,9-10H,3-8H2,(H,16,17)
InChIKeyCITCKNPWUOGRHS-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.32
Rot. Bonds4

About 4-oxo-4-(4-thiophen-2-ylpiperidin-1-yl)butanoic acid

4-oxo-4-(4-thiophen-2-ylpiperidin-1-yl)butanoic acid (PubChem CID 82134002) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is 4-oxo-4-(4-thiophen-2-ylpiperidin-1-yl)butanoic acid.

Molecular Properties

Compound Name4-oxo-4-(4-thiophen-2-ylpiperidin-1-yl)butanoic acid
PubChem CID82134002
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name4-oxo-4-(4-thiophen-2-ylpiperidin-1-yl)butanoic acid
SMILESO=C(O)CCC(=O)N1CCC(c2cccs2)CC1
InChIInChI=1S/C13H17NO3S/c15-12(3-4-13(16)17)14-7-5-10(6-8-14)11-2-1-9-18-11/h1-2,9-10H,3-8H2,(H,16,17)
InChIKeyCITCKNPWUOGRHS-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

2-chloro-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone
CID 82130314
2-amino-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone
CID 82128116
3-(4-methoxyphenyl)-1-(4-thiophen-2-ylpiperidin-1-yl)propan-1-one
CID 90522107
4-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]butanoic acid
CID 28708467
(E)-3-phenyl-1-(4-thiophen-2-ylpiperidin-1-yl)prop-2-en-1-one
CID 71786847
4-[4-(2-fluorophenyl)piperidin-1-yl]-4-oxobutanoic acid
CID 94701076
1-(4-hydroxypiperidin-1-yl)-3-thiophen-2-ylpropan-1-one
CID 43416005
hydroxymethyl 3-thiophen-2-ylpyrrolidine-1-carboxylate
CID 154081566
3-[2-oxo-2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]-1,3-benzoxazol-2-one
CID 71786887
thiophen-3-yl-(4-thiophen-2-ylpiperidin-1-yl)methanone
CID 71786843
(2-methylphenyl)-(4-thiophen-2-ylpiperidin-1-yl)methanone
CID 71786844
3-thiophen-3-yl-1-(4-thiophen-2-ylpiperidin-1-yl)prop-2-en-1-one
CID 71960797

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-(4-thiophen-2-ylpiperidin-1-yl)butanoic acid?
The IUPAC name of 4-oxo-4-(4-thiophen-2-ylpiperidin-1-yl)butanoic acid (CID 82134002) is 4-oxo-4-(4-thiophen-2-ylpiperidin-1-yl)butanoic acid.
What is the SMILES notation for 4-oxo-4-(4-thiophen-2-ylpiperidin-1-yl)butanoic acid?
The canonical SMILES for 4-oxo-4-(4-thiophen-2-ylpiperidin-1-yl)butanoic acid is O=C(O)CCC(=O)N1CCC(c2cccs2)CC1.
What is the InChIKey of 4-oxo-4-(4-thiophen-2-ylpiperidin-1-yl)butanoic acid?
The InChIKey is CITCKNPWUOGRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c15-12(3-4-13(16)17)14-7-5-10(6-8-14)11-2-1-9-18-11/h1-2,9-10H,3-8H2,(H,16,17).
What are the key properties of 4-oxo-4-(4-thiophen-2-ylpiperidin-1-yl)butanoic acid?
4-oxo-4-(4-thiophen-2-ylpiperidin-1-yl)butanoic 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-(4-thiophen-2-ylpiperidin-1-yl)butanoic acid is sourced from PubChem (CID 82134002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).