[5-methyl-2-(4-methyltriazol-1-yl)phenyl]-[(2R,3R)-3-methyl-2-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]piperidin-1-yl]methanone

C25H28F3N5O — CID 147144518

About [5-methyl-2-(4-methyltriazol-1-yl)phenyl]-[(2R,3R)-3-methyl-2-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]piperidin-1-yl]methanone

[5-methyl-2-(4-methyltriazol-1-yl)phenyl]-[(2R,3R)-3-methyl-2-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]piperidin-1-yl]methanone (PubChem CID 147144518) has the molecular formula C25H28F3N5O and a molecular weight of 471.53 g/mol. Its IUPAC name is [5-methyl-2-(4-methyltriazol-1-yl)phenyl]-[(2R,3R)-3-methyl-2-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: [5-methyl-2-(4-methyltriazol-1-yl)phenyl]-[(2R,3R)-3-methyl-2-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]piperidin-1-yl]methanone
• PubChem CID: 147144518
• Molecular Formula: C25H28F3N5O
• Molecular Weight: 471.53 g/mol
• Exact Mass: 471.22
• IUPAC Name: [5-methyl-2-(4-methyltriazol-1-yl)phenyl]-[(2R,3R)-3-methyl-2-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]piperidin-1-yl]methanone
• SMILES: Cc1ccc(-n2cc(C)nn2)c(C(=O)N2CCC[C@@H](C)[C@H]2CCc2ccc(C(F)(F)F)cn2)c1
• InChI: InChI=1S/C25H28F3N5O/c1-16-6-10-23(33-15-18(3)30-31-33)21(13-16)24(34)32-12-4-5-17(2)22(32)11-9-20-8-7-19(14-29-20)25(26,27)28/h6-8,10,13-15,17,22H,4-5,9,11-12H2,1-3H3/t17-,22-/m1/s1
• InChIKey: BSTYOXFWRMZQNT-VGOFRKELSA-N
• XLogP: 5.17
• TPSA: 63.91 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.53
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [5-methyl-2-(4-methyltriazol-1-yl)phenyl]-[(2R,3R)-3-methyl-2-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]piperidin-1-yl]methanone?

The IUPAC name of [5-methyl-2-(4-methyltriazol-1-yl)phenyl]-[(2R,3R)-3-methyl-2-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]piperidin-1-yl]methanone (CID 147144518) is [5-methyl-2-(4-methyltriazol-1-yl)phenyl]-[(2R,3R)-3-methyl-2-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]piperidin-1-yl]methanone.

What is the SMILES notation for [5-methyl-2-(4-methyltriazol-1-yl)phenyl]-[(2R,3R)-3-methyl-2-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]piperidin-1-yl]methanone?

The canonical SMILES for [5-methyl-2-(4-methyltriazol-1-yl)phenyl]-[(2R,3R)-3-methyl-2-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]piperidin-1-yl]methanone is Cc1ccc(-n2cc(C)nn2)c(C(=O)N2CCC[C@@H](C)[C@H]2CCc2ccc(C(F)(F)F)cn2)c1.

What is the InChIKey of [5-methyl-2-(4-methyltriazol-1-yl)phenyl]-[(2R,3R)-3-methyl-2-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]piperidin-1-yl]methanone?

The InChIKey is BSTYOXFWRMZQNT-VGOFRKELSA-N. The full InChI is InChI=1S/C25H28F3N5O/c1-16-6-10-23(33-15-18(3)30-31-33)21(13-16)24(34)32-12-4-5-17(2)22(32)11-9-20-8-7-19(14-29-20)25(26,27)28/h6-8,10,13-15,17,22H,4-5,9,11-12H2,1-3H3/t17-,22-/m1/s1.

What are the key properties of [5-methyl-2-(4-methyltriazol-1-yl)phenyl]-[(2R,3R)-3-methyl-2-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]piperidin-1-yl]methanone?

[5-methyl-2-(4-methyltriazol-1-yl)phenyl]-[(2R,3R)-3-methyl-2-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]piperidin-1-yl]methanone has a molecular weight of 471.53 g/mol, XLogP of 5.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [5-methyl-2-(4-methyltriazol-1-yl)phenyl]-[(2R,3R)-3-methyl-2-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 147144518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).