3-(piperidine-1-carbonyl)-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid

C13H16N2O3S — CID 67804047

IUPAC3-(piperidine-1-carbonyl)-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid
SMILESO=C(O)N1Cc2csc(C(=O)N3CCCCC3)c2C1
InChIInChI=1S/C13H16N2O3S/c16-12(14-4-2-1-3-5-14)11-10-7-15(13(17)18)6-9(10)8-19-11/h8H,1-7H2,(H,17,18)
InChIKeySSNQGWMDUYSQBV-UHFFFAOYSA-N
MW280.35 g/mol
LogP2.37
Rot. Bonds1

About 3-(piperidine-1-carbonyl)-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid

3-(piperidine-1-carbonyl)-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid (PubChem CID 67804047) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is 3-(piperidine-1-carbonyl)-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid.

Molecular Properties

Compound Name3-(piperidine-1-carbonyl)-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid
PubChem CID67804047
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Name3-(piperidine-1-carbonyl)-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid
SMILESO=C(O)N1Cc2csc(C(=O)N3CCCCC3)c2C1
InChIInChI=1S/C13H16N2O3S/c16-12(14-4-2-1-3-5-14)11-10-7-15(13(17)18)6-9(10)8-19-11/h8H,1-7H2,(H,17,18)
InChIKeySSNQGWMDUYSQBV-UHFFFAOYSA-N
XLogP2.37
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(piperidine-1-carbonyl)-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid?
The IUPAC name of 3-(piperidine-1-carbonyl)-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid (CID 67804047) is 3-(piperidine-1-carbonyl)-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid.
What is the SMILES notation for 3-(piperidine-1-carbonyl)-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid?
The canonical SMILES for 3-(piperidine-1-carbonyl)-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid is O=C(O)N1Cc2csc(C(=O)N3CCCCC3)c2C1.
What is the InChIKey of 3-(piperidine-1-carbonyl)-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid?
The InChIKey is SSNQGWMDUYSQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c16-12(14-4-2-1-3-5-14)11-10-7-15(13(17)18)6-9(10)8-19-11/h8H,1-7H2,(H,17,18).
What are the key properties of 3-(piperidine-1-carbonyl)-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid?
3-(piperidine-1-carbonyl)-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid has a molecular weight of 280.35 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidine-1-carbonyl)-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid is sourced from PubChem (CID 67804047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).