(3R)-N-[(2-methoxyphenyl)methyl]-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide

C21H22F3N5O2 — CID 95115170

About (3R)-N-[(2-methoxyphenyl)methyl]-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide

(3R)-N-[(2-methoxyphenyl)methyl]-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide (PubChem CID 95115170) has the molecular formula C21H22F3N5O2 and a molecular weight of 433.43 g/mol. Its IUPAC name is (3R)-N-[(2-methoxyphenyl)methyl]-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-N-[(2-methoxyphenyl)methyl]-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide
• PubChem CID: 95115170
• Molecular Formula: C21H22F3N5O2
• Molecular Weight: 433.43 g/mol
• Exact Mass: 433.17
• IUPAC Name: (3R)-N-[(2-methoxyphenyl)methyl]-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide
• SMILES: COc1ccccc1CNC(=O)[C@@H]1CCCN(c2nnc3ccc(C(F)(F)F)cn23)C1
• InChI: InChI=1S/C21H22F3N5O2/c1-31-17-7-3-2-5-14(17)11-25-19(30)15-6-4-10-28(12-15)20-27-26-18-9-8-16(13-29(18)20)21(22,23)24/h2-3,5,7-9,13,15H,4,6,10-12H2,1H3,(H,25,30)/t15-/m1/s1
• InChIKey: SLFUFLGPBDKUMG-OAHLLOKOSA-N
• XLogP: 3.29
• TPSA: 71.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.43
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2-methoxyphenyl)methyl]-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide?

The IUPAC name of (3R)-N-[(2-methoxyphenyl)methyl]-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide (CID 95115170) is (3R)-N-[(2-methoxyphenyl)methyl]-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide.

What is the SMILES notation for (3R)-N-[(2-methoxyphenyl)methyl]-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide?

The canonical SMILES for (3R)-N-[(2-methoxyphenyl)methyl]-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide is COc1ccccc1CNC(=O)[C@@H]1CCCN(c2nnc3ccc(C(F)(F)F)cn23)C1.

What is the InChIKey of (3R)-N-[(2-methoxyphenyl)methyl]-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide?

The InChIKey is SLFUFLGPBDKUMG-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H22F3N5O2/c1-31-17-7-3-2-5-14(17)11-25-19(30)15-6-4-10-28(12-15)20-27-26-18-9-8-16(13-29(18)20)21(22,23)24/h2-3,5,7-9,13,15H,4,6,10-12H2,1H3,(H,25,30)/t15-/m1/s1.

What are the key properties of (3R)-N-[(2-methoxyphenyl)methyl]-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide?

(3R)-N-[(2-methoxyphenyl)methyl]-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide has a molecular weight of 433.43 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-[(2-methoxyphenyl)methyl]-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide is sourced from PubChem (CID 95115170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).