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

C24H26F3N5O — CID 147393039

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

[5-methyl-2-(triazol-2-yl)phenyl]-[(2R,3S)-3-methyl-2-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]piperidin-1-yl]methanone (PubChem CID 147393039) has the molecular formula C24H26F3N5O and a molecular weight of 457.50 g/mol. Its IUPAC name is [5-methyl-2-(triazol-2-yl)phenyl]-[(2R,3S)-3-methyl-2-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: [5-methyl-2-(triazol-2-yl)phenyl]-[(2R,3S)-3-methyl-2-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]piperidin-1-yl]methanone
• PubChem CID: 147393039
• Molecular Formula: C24H26F3N5O
• Molecular Weight: 457.50 g/mol
• Exact Mass: 457.21
• IUPAC Name: [5-methyl-2-(triazol-2-yl)phenyl]-[(2R,3S)-3-methyl-2-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]piperidin-1-yl]methanone
• SMILES: Cc1ccc(-n2nccn2)c(C(=O)N2CCC[C@H](C)[C@H]2CCc2ccc(C(F)(F)F)cn2)c1
• InChI: InChI=1S/C24H26F3N5O/c1-16-5-9-22(32-29-11-12-30-32)20(14-16)23(33)31-13-3-4-17(2)21(31)10-8-19-7-6-18(15-28-19)24(25,26)27/h5-7,9,11-12,14-15,17,21H,3-4,8,10,13H2,1-2H3/t17-,21+/m0/s1
• InChIKey: DNGJNJQBVHEOPW-LAUBAEHRSA-N
• XLogP: 4.86
• TPSA: 63.91 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.50
LogP ≤ 5	4.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of [5-methyl-2-(triazol-2-yl)phenyl]-[(2R,3S)-3-methyl-2-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]piperidin-1-yl]methanone (CID 147393039) is [5-methyl-2-(triazol-2-yl)phenyl]-[(2R,3S)-3-methyl-2-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]piperidin-1-yl]methanone.

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

The canonical SMILES for [5-methyl-2-(triazol-2-yl)phenyl]-[(2R,3S)-3-methyl-2-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]piperidin-1-yl]methanone is Cc1ccc(-n2nccn2)c(C(=O)N2CCC[C@H](C)[C@H]2CCc2ccc(C(F)(F)F)cn2)c1.

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

The InChIKey is DNGJNJQBVHEOPW-LAUBAEHRSA-N. The full InChI is InChI=1S/C24H26F3N5O/c1-16-5-9-22(32-29-11-12-30-32)20(14-16)23(33)31-13-3-4-17(2)21(31)10-8-19-7-6-18(15-28-19)24(25,26)27/h5-7,9,11-12,14-15,17,21H,3-4,8,10,13H2,1-2H3/t17-,21+/m0/s1.

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

[5-methyl-2-(triazol-2-yl)phenyl]-[(2R,3S)-3-methyl-2-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]piperidin-1-yl]methanone has a molecular weight of 457.50 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [5-methyl-2-(triazol-2-yl)phenyl]-[(2R,3S)-3-methyl-2-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 147393039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).