(3R)-1-(thiophene-3-carbonyl)piperidine-3-carboxylic acid

C11H13NO3S — CID 30044914

IUPAC(3R)-1-(thiophene-3-carbonyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)c2ccsc2)C1
InChIInChI=1S/C11H13NO3S/c13-10(9-3-5-16-7-9)12-4-1-2-8(6-12)11(14)15/h3,5,7-8H,1-2,4,6H2,(H,14,15)/t8-/m1/s1
InChIKeyILXKGLCCUHZDCG-MRVPVSSYSA-N
MW239.30 g/mol
LogP1.68
Rot. Bonds2

About (3R)-1-(thiophene-3-carbonyl)piperidine-3-carboxylic acid

(3R)-1-(thiophene-3-carbonyl)piperidine-3-carboxylic acid (PubChem CID 30044914) has the molecular formula C11H13NO3S and a molecular weight of 239.30 g/mol. Its IUPAC name is (3R)-1-(thiophene-3-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(thiophene-3-carbonyl)piperidine-3-carboxylic acid
PubChem CID30044914
Molecular FormulaC11H13NO3S
Molecular Weight239.30 g/mol
Exact Mass239.06
IUPAC Name(3R)-1-(thiophene-3-carbonyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)c2ccsc2)C1
InChIInChI=1S/C11H13NO3S/c13-10(9-3-5-16-7-9)12-4-1-2-8(6-12)11(14)15/h3,5,7-8H,1-2,4,6H2,(H,14,15)/t8-/m1/s1
InChIKeyILXKGLCCUHZDCG-MRVPVSSYSA-N
XLogP1.68
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-phenylphenyl)-[(3R)-1-(thiophene-3-carbonyl)piperidin-3-yl]methanone
CID 42306915
ethyl (3S)-1-(thiophene-3-carbonyl)piperidine-3-carboxylate
CID 81344391
[3-(hydroxymethyl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 43422291
1-[3-(thiophene-3-carbonylamino)propanoyl]piperidine-3-carboxylic acid
CID 43355929
2-methyl-2-[1-(thiophene-3-carbonyl)piperidin-3-yl]propanoic acid
CID 83198257
(3S)-1-(4-methylbenzoyl)piperidine-3-carboxylic acid
CID 42257342
(3S)-1-[4-(thiophene-3-carbonylamino)butanoyl]piperidine-3-carboxylic acid
CID 119174270
[(3S)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 31403281
1-(3,4-dihydroxybenzoyl)piperidine-3-carboxylic acid
CID 107727974
(3S)-1-(3-thiophen-3-ylpropanoyl)piperidine-3-carboxylic acid
CID 119173609
(3S)-1-(2,5-dihydroxybenzoyl)piperidine-3-carboxylic acid
CID 107721752
(3R)-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 858666

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(thiophene-3-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(thiophene-3-carbonyl)piperidine-3-carboxylic acid (CID 30044914) is (3R)-1-(thiophene-3-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(thiophene-3-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(thiophene-3-carbonyl)piperidine-3-carboxylic acid is O=C(O)[C@@H]1CCCN(C(=O)c2ccsc2)C1.
What is the InChIKey of (3R)-1-(thiophene-3-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is ILXKGLCCUHZDCG-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H13NO3S/c13-10(9-3-5-16-7-9)12-4-1-2-8(6-12)11(14)15/h3,5,7-8H,1-2,4,6H2,(H,14,15)/t8-/m1/s1.
What are the key properties of (3R)-1-(thiophene-3-carbonyl)piperidine-3-carboxylic acid?
(3R)-1-(thiophene-3-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 239.30 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(thiophene-3-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 30044914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).