2-chloro-6-[4-[[1-[2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]piperidin-4-yl]methyl]piperidin-1-yl]-N-methylpyridine-3-carboxamide

C24H34ClF3N4O3 — CID 129197470

About 2-chloro-6-[4-[[1-[2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]piperidin-4-yl]methyl]piperidin-1-yl]-N-methylpyridine-3-carboxamide

2-chloro-6-[4-[[1-[2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]piperidin-4-yl]methyl]piperidin-1-yl]-N-methylpyridine-3-carboxamide (PubChem CID 129197470) has the molecular formula C24H34ClF3N4O3 and a molecular weight of 519.01 g/mol. Its IUPAC name is 2-chloro-6-[4-[[1-[2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]piperidin-4-yl]methyl]piperidin-1-yl]-N-methylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-chloro-6-[4-[[1-[2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]piperidin-4-yl]methyl]piperidin-1-yl]-N-methylpyridine-3-carboxamide
• PubChem CID: 129197470
• Molecular Formula: C24H34ClF3N4O3
• Molecular Weight: 519.01 g/mol
• Exact Mass: 518.23
• IUPAC Name: 2-chloro-6-[4-[[1-[2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]piperidin-4-yl]methyl]piperidin-1-yl]-N-methylpyridine-3-carboxamide
• SMILES: CNC(=O)c1ccc(N2CCC(CC3CCN(C(=O)C(O)(C(C)C)C(F)(F)F)CC3)CC2)nc1Cl
• InChI: InChI=1S/C24H34ClF3N4O3/c1-15(2)23(35,24(26,27)28)22(34)32-12-8-17(9-13-32)14-16-6-10-31(11-7-16)19-5-4-18(20(25)30-19)21(33)29-3/h4-5,15-17,35H,6-14H2,1-3H3,(H,29,33)
• InChIKey: MGVSHCOLMMTVPM-UHFFFAOYSA-N
• XLogP: 3.89
• TPSA: 85.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.01
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[4-[[1-[2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]piperidin-4-yl]methyl]piperidin-1-yl]-N-methylpyridine-3-carboxamide?

The IUPAC name of 2-chloro-6-[4-[[1-[2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]piperidin-4-yl]methyl]piperidin-1-yl]-N-methylpyridine-3-carboxamide (CID 129197470) is 2-chloro-6-[4-[[1-[2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]piperidin-4-yl]methyl]piperidin-1-yl]-N-methylpyridine-3-carboxamide.

What is the SMILES notation for 2-chloro-6-[4-[[1-[2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]piperidin-4-yl]methyl]piperidin-1-yl]-N-methylpyridine-3-carboxamide?

The canonical SMILES for 2-chloro-6-[4-[[1-[2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]piperidin-4-yl]methyl]piperidin-1-yl]-N-methylpyridine-3-carboxamide is CNC(=O)c1ccc(N2CCC(CC3CCN(C(=O)C(O)(C(C)C)C(F)(F)F)CC3)CC2)nc1Cl.

What is the InChIKey of 2-chloro-6-[4-[[1-[2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]piperidin-4-yl]methyl]piperidin-1-yl]-N-methylpyridine-3-carboxamide?

The InChIKey is MGVSHCOLMMTVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34ClF3N4O3/c1-15(2)23(35,24(26,27)28)22(34)32-12-8-17(9-13-32)14-16-6-10-31(11-7-16)19-5-4-18(20(25)30-19)21(33)29-3/h4-5,15-17,35H,6-14H2,1-3H3,(H,29,33).

What are the key properties of 2-chloro-6-[4-[[1-[2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]piperidin-4-yl]methyl]piperidin-1-yl]-N-methylpyridine-3-carboxamide?

2-chloro-6-[4-[[1-[2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]piperidin-4-yl]methyl]piperidin-1-yl]-N-methylpyridine-3-carboxamide has a molecular weight of 519.01 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-6-[4-[[1-[2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]piperidin-4-yl]methyl]piperidin-1-yl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 129197470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).