3-hydroxy-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxylic acid

C13H14N2O3S — CID 166267507

IUPAC3-hydroxy-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxylic acid
SMILESO=C(O)C1(O)CCCN(c2nccc3sccc23)C1
InChIInChI=1S/C13H14N2O3S/c16-12(17)13(18)4-1-6-15(8-13)11-9-3-7-19-10(9)2-5-14-11/h2-3,5,7,18H,1,4,6,8H2,(H,16,17)
InChIKeyFTUHPMCWLXEOSU-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.71
Rot. Bonds2

About 3-hydroxy-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxylic acid

3-hydroxy-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxylic acid (PubChem CID 166267507) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is 3-hydroxy-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxylic acid
PubChem CID166267507
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name3-hydroxy-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxylic acid
SMILESO=C(O)C1(O)CCCN(c2nccc3sccc23)C1
InChIInChI=1S/C13H14N2O3S/c16-12(17)13(18)4-1-6-15(8-13)11-9-3-7-19-10(9)2-5-14-11/h2-3,5,7,18H,1,4,6,8H2,(H,16,17)
InChIKeyFTUHPMCWLXEOSU-UHFFFAOYSA-N
XLogP1.71
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxylic acid?
The IUPAC name of 3-hydroxy-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxylic acid (CID 166267507) is 3-hydroxy-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxylic acid.
What is the SMILES notation for 3-hydroxy-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxylic acid?
The canonical SMILES for 3-hydroxy-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxylic acid is O=C(O)C1(O)CCCN(c2nccc3sccc23)C1.
What is the InChIKey of 3-hydroxy-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxylic acid?
The InChIKey is FTUHPMCWLXEOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c16-12(17)13(18)4-1-6-15(8-13)11-9-3-7-19-10(9)2-5-14-11/h2-3,5,7,18H,1,4,6,8H2,(H,16,17).
What are the key properties of 3-hydroxy-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxylic acid?
3-hydroxy-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxylic acid has a molecular weight of 278.33 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxylic acid is sourced from PubChem (CID 166267507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).