3-thiophen-3-ylpiperidine-2-carboxylic acid

C10H13NO2S — CID 165483668

IUPAC3-thiophen-3-ylpiperidine-2-carboxylic acid
SMILESO=C(O)C1NCCCC1c1ccsc1
InChIInChI=1S/C10H13NO2S/c12-10(13)9-8(2-1-4-11-9)7-3-5-14-6-7/h3,5-6,8-9,11H,1-2,4H2,(H,12,13)
InChIKeyXYYGDXCHRQHZLY-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.67
Rot. Bonds2

About 3-thiophen-3-ylpiperidine-2-carboxylic acid

3-thiophen-3-ylpiperidine-2-carboxylic acid (PubChem CID 165483668) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 3-thiophen-3-ylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name3-thiophen-3-ylpiperidine-2-carboxylic acid
PubChem CID165483668
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name3-thiophen-3-ylpiperidine-2-carboxylic acid
SMILESO=C(O)C1NCCCC1c1ccsc1
InChIInChI=1S/C10H13NO2S/c12-10(13)9-8(2-1-4-11-9)7-3-5-14-6-7/h3,5-6,8-9,11H,1-2,4H2,(H,12,13)
InChIKeyXYYGDXCHRQHZLY-UHFFFAOYSA-N
XLogP1.67
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-carboxyphenyl)piperidine-2-carboxylic acid
CID 165483280
(3R,4S)-4-thiophen-3-ylpyrrolidine-3-carboxylic acid
CID 56971991
(2S,3S)-3-phenylpyrrolidine-2-carboxylic acid;hydrochloride
CID 67353931
(2R,3R)-3-phenylpyrrolidine-2-carboxylic acid;hydrochloride
CID 131632798
6-thiophen-3-ylpiperidine-2-carboxylic acid
CID 112698967
3-hydroxypiperidine-2-carboxylic acid;hydrochloride
CID 72996039
[(2R,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 124694505
3-(3,5-difluorophenyl)pyrrolidine-2-carboxylic acid
CID 106534590
piperidin-2-yl-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 54871703
(2S,3R)-3-(3-carboxy-5-hydroxyphenyl)pyrrolidine-2-carboxylic acid
CID 78320621
(2S,3S)-3-(3-methylphenyl)pyrrolidine-2-carboxylic acid
CID 124509776
N,3-dimethyl-N-(thiophen-3-ylmethyl)piperidine-2-carboxamide
CID 107067215

Frequently Asked Questions

What is the IUPAC name of 3-thiophen-3-ylpiperidine-2-carboxylic acid?
The IUPAC name of 3-thiophen-3-ylpiperidine-2-carboxylic acid (CID 165483668) is 3-thiophen-3-ylpiperidine-2-carboxylic acid.
What is the SMILES notation for 3-thiophen-3-ylpiperidine-2-carboxylic acid?
The canonical SMILES for 3-thiophen-3-ylpiperidine-2-carboxylic acid is O=C(O)C1NCCCC1c1ccsc1.
What is the InChIKey of 3-thiophen-3-ylpiperidine-2-carboxylic acid?
The InChIKey is XYYGDXCHRQHZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c12-10(13)9-8(2-1-4-11-9)7-3-5-14-6-7/h3,5-6,8-9,11H,1-2,4H2,(H,12,13).
What are the key properties of 3-thiophen-3-ylpiperidine-2-carboxylic acid?
3-thiophen-3-ylpiperidine-2-carboxylic acid has a molecular weight of 211.29 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-3-ylpiperidine-2-carboxylic acid is sourced from PubChem (CID 165483668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).