[6-methyl-2-(triazol-2-yl)-3-pyridinyl]-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone

C20H19F3N6O2 — CID 134503246

About [6-methyl-2-(triazol-2-yl)-3-pyridinyl]-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone

[6-methyl-2-(triazol-2-yl)-3-pyridinyl]-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone (PubChem CID 134503246) has the molecular formula C20H19F3N6O2 and a molecular weight of 432.41 g/mol. Its IUPAC name is [6-methyl-2-(triazol-2-yl)-3-pyridinyl]-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: [6-methyl-2-(triazol-2-yl)-3-pyridinyl]-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone
• PubChem CID: 134503246
• Molecular Formula: C20H19F3N6O2
• Molecular Weight: 432.41 g/mol
• Exact Mass: 432.15
• IUPAC Name: [6-methyl-2-(triazol-2-yl)-3-pyridinyl]-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone
• SMILES: Cc1ccc(C(=O)N2CCCC(Oc3ccc(C(F)(F)F)cn3)C2)c(-n2nccn2)n1
• InChI: InChI=1S/C20H19F3N6O2/c1-13-4-6-16(18(27-13)29-25-8-9-26-29)19(30)28-10-2-3-15(12-28)31-17-7-5-14(11-24-17)20(21,22)23/h4-9,11,15H,2-3,10,12H2,1H3
• InChIKey: MWEBLFTVIZQYHM-UHFFFAOYSA-N
• XLogP: 3.07
• TPSA: 86.03 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.41
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [6-methyl-2-(triazol-2-yl)-3-pyridinyl]-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone?

The IUPAC name of [6-methyl-2-(triazol-2-yl)-3-pyridinyl]-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone (CID 134503246) is [6-methyl-2-(triazol-2-yl)-3-pyridinyl]-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone.

What is the SMILES notation for [6-methyl-2-(triazol-2-yl)-3-pyridinyl]-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone?

The canonical SMILES for [6-methyl-2-(triazol-2-yl)-3-pyridinyl]-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone is Cc1ccc(C(=O)N2CCCC(Oc3ccc(C(F)(F)F)cn3)C2)c(-n2nccn2)n1.

What is the InChIKey of [6-methyl-2-(triazol-2-yl)-3-pyridinyl]-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone?

The InChIKey is MWEBLFTVIZQYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N6O2/c1-13-4-6-16(18(27-13)29-25-8-9-26-29)19(30)28-10-2-3-15(12-28)31-17-7-5-14(11-24-17)20(21,22)23/h4-9,11,15H,2-3,10,12H2,1H3.

What are the key properties of [6-methyl-2-(triazol-2-yl)-3-pyridinyl]-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone?

[6-methyl-2-(triazol-2-yl)-3-pyridinyl]-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone has a molecular weight of 432.41 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [6-methyl-2-(triazol-2-yl)-3-pyridinyl]-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone is sourced from PubChem (CID 134503246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).