(2R,3R)-2-methyl-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperidine-3-carboxylic acid

C17H17F3N2O3S — CID 122115521

About (2R,3R)-2-methyl-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperidine-3-carboxylic acid

(2R,3R)-2-methyl-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperidine-3-carboxylic acid (PubChem CID 122115521) has the molecular formula C17H17F3N2O3S and a molecular weight of 386.40 g/mol. Its IUPAC name is (2R,3R)-2-methyl-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperidine-3-carboxylic acid.

Molecular Properties

• Compound Name: (2R,3R)-2-methyl-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperidine-3-carboxylic acid
• PubChem CID: 122115521
• Molecular Formula: C17H17F3N2O3S
• Molecular Weight: 386.40 g/mol
• Exact Mass: 386.09
• IUPAC Name: (2R,3R)-2-methyl-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperidine-3-carboxylic acid
• SMILES: Cc1c(C(=O)N2CCC[C@@H](C(=O)O)[C@H]2C)sc2nc(C(F)(F)F)ccc12
• InChI: InChI=1S/C17H17F3N2O3S/c1-8-10-5-6-12(17(18,19)20)21-14(10)26-13(8)15(23)22-7-3-4-11(9(22)2)16(24)25/h5-6,9,11H,3-4,7H2,1-2H3,(H,24,25)/t9-,11-/m1/s1
• InChIKey: ZAGLGBCCUQAFTB-MWLCHTKSSA-N
• XLogP: 3.95
• TPSA: 70.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.40
LogP ≤ 5	3.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-methyl-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperidine-3-carboxylic acid?

The IUPAC name of (2R,3R)-2-methyl-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperidine-3-carboxylic acid (CID 122115521) is (2R,3R)-2-methyl-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperidine-3-carboxylic acid.

What is the SMILES notation for (2R,3R)-2-methyl-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperidine-3-carboxylic acid?

The canonical SMILES for (2R,3R)-2-methyl-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperidine-3-carboxylic acid is Cc1c(C(=O)N2CCC[C@@H](C(=O)O)[C@H]2C)sc2nc(C(F)(F)F)ccc12.

What is the InChIKey of (2R,3R)-2-methyl-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperidine-3-carboxylic acid?

The InChIKey is ZAGLGBCCUQAFTB-MWLCHTKSSA-N. The full InChI is InChI=1S/C17H17F3N2O3S/c1-8-10-5-6-12(17(18,19)20)21-14(10)26-13(8)15(23)22-7-3-4-11(9(22)2)16(24)25/h5-6,9,11H,3-4,7H2,1-2H3,(H,24,25)/t9-,11-/m1/s1.

What are the key properties of (2R,3R)-2-methyl-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperidine-3-carboxylic acid?

(2R,3R)-2-methyl-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperidine-3-carboxylic acid has a molecular weight of 386.40 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R)-2-methyl-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122115521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).