[5-methyl-2-(6-methyl-2-pyridinyl)phenyl]-[(3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone

C27H29F3N4O — CID 129025985

About [5-methyl-2-(6-methyl-2-pyridinyl)phenyl]-[(3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone

[5-methyl-2-(6-methyl-2-pyridinyl)phenyl]-[(3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone (PubChem CID 129025985) has the molecular formula C27H29F3N4O and a molecular weight of 482.55 g/mol. Its IUPAC name is [5-methyl-2-(6-methyl-2-pyridinyl)phenyl]-[(3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: [5-methyl-2-(6-methyl-2-pyridinyl)phenyl]-[(3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
• PubChem CID: 129025985
• Molecular Formula: C27H29F3N4O
• Molecular Weight: 482.55 g/mol
• Exact Mass: 482.23
• IUPAC Name: [5-methyl-2-(6-methyl-2-pyridinyl)phenyl]-[(3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
• SMILES: Cc1ccc(-c2cccc(C)n2)c(C(=O)N2CCC[C@@H](C)C2CNc2ccc(C(F)(F)F)cn2)c1
• InChI: InChI=1S/C27H29F3N4O/c1-17-9-11-21(23-8-4-7-19(3)33-23)22(14-17)26(35)34-13-5-6-18(2)24(34)16-32-25-12-10-20(15-31-25)27(28,29)30/h4,7-12,14-15,18,24H,5-6,13,16H2,1-3H3,(H,31,32)/t18-,24?/m1/s1
• InChIKey: WDRMYSCJKBOVSW-QFADGXAASA-N
• XLogP: 6.13
• TPSA: 58.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.55
LogP ≤ 5	6.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of [5-methyl-2-(6-methyl-2-pyridinyl)phenyl]-[(3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone (CID 129025985) is [5-methyl-2-(6-methyl-2-pyridinyl)phenyl]-[(3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone.

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

The canonical SMILES for [5-methyl-2-(6-methyl-2-pyridinyl)phenyl]-[(3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone is Cc1ccc(-c2cccc(C)n2)c(C(=O)N2CCC[C@@H](C)C2CNc2ccc(C(F)(F)F)cn2)c1.

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

The InChIKey is WDRMYSCJKBOVSW-QFADGXAASA-N. The full InChI is InChI=1S/C27H29F3N4O/c1-17-9-11-21(23-8-4-7-19(3)33-23)22(14-17)26(35)34-13-5-6-18(2)24(34)16-32-25-12-10-20(15-31-25)27(28,29)30/h4,7-12,14-15,18,24H,5-6,13,16H2,1-3H3,(H,31,32)/t18-,24?/m1/s1.

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

[5-methyl-2-(6-methyl-2-pyridinyl)phenyl]-[(3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone has a molecular weight of 482.55 g/mol, XLogP of 6.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [5-methyl-2-(6-methyl-2-pyridinyl)phenyl]-[(3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 129025985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).