5-[3-(trifluoromethyl)piperidine-1-carbonyl]thiophene-2-carboxylic acid

C12H12F3NO3S — CID 60722172

IUPAC5-[3-(trifluoromethyl)piperidine-1-carbonyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)N2CCCC(C(F)(F)F)C2)s1
InChIInChI=1S/C12H12F3NO3S/c13-12(14,15)7-2-1-5-16(6-7)10(17)8-3-4-9(20-8)11(18)19/h3-4,7H,1-2,5-6H2,(H,18,19)
InChIKeyVQXXXGRHZSZBEY-UHFFFAOYSA-N
MW307.29 g/mol
LogP2.86
Rot. Bonds2

About 5-[3-(trifluoromethyl)piperidine-1-carbonyl]thiophene-2-carboxylic acid

5-[3-(trifluoromethyl)piperidine-1-carbonyl]thiophene-2-carboxylic acid (PubChem CID 60722172) has the molecular formula C12H12F3NO3S and a molecular weight of 307.29 g/mol. Its IUPAC name is 5-[3-(trifluoromethyl)piperidine-1-carbonyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[3-(trifluoromethyl)piperidine-1-carbonyl]thiophene-2-carboxylic acid
PubChem CID60722172
Molecular FormulaC12H12F3NO3S
Molecular Weight307.29 g/mol
Exact Mass307.05
IUPAC Name5-[3-(trifluoromethyl)piperidine-1-carbonyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)N2CCCC(C(F)(F)F)C2)s1
InChIInChI=1S/C12H12F3NO3S/c13-12(14,15)7-2-1-5-16(6-7)10(17)8-3-4-9(20-8)11(18)19/h3-4,7H,1-2,5-6H2,(H,18,19)
InChIKeyVQXXXGRHZSZBEY-UHFFFAOYSA-N
XLogP2.86
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.29
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[3-(trifluoromethyl)piperidine-1-carbonyl]thiophene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[3-(trifluoromethyl)piperidine-1-carbonyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[3-(trifluoromethyl)piperidine-1-carbonyl]thiophene-2-carboxylic acid (CID 60722172) is 5-[3-(trifluoromethyl)piperidine-1-carbonyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[3-(trifluoromethyl)piperidine-1-carbonyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[3-(trifluoromethyl)piperidine-1-carbonyl]thiophene-2-carboxylic acid is O=C(O)c1ccc(C(=O)N2CCCC(C(F)(F)F)C2)s1.
What is the InChIKey of 5-[3-(trifluoromethyl)piperidine-1-carbonyl]thiophene-2-carboxylic acid?
The InChIKey is VQXXXGRHZSZBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO3S/c13-12(14,15)7-2-1-5-16(6-7)10(17)8-3-4-9(20-8)11(18)19/h3-4,7H,1-2,5-6H2,(H,18,19).
What are the key properties of 5-[3-(trifluoromethyl)piperidine-1-carbonyl]thiophene-2-carboxylic acid?
5-[3-(trifluoromethyl)piperidine-1-carbonyl]thiophene-2-carboxylic acid has a molecular weight of 307.29 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(trifluoromethyl)piperidine-1-carbonyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 60722172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).