2-chloro-6-[4-[1-[2-hydroxy-4-methyl-2-(trifluoromethyl)pentanoyl]piperidin-4-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide

C25H36ClF3N4O3 — CID 129146150

About 2-chloro-6-[4-[1-[2-hydroxy-4-methyl-2-(trifluoromethyl)pentanoyl]piperidin-4-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide

2-chloro-6-[4-[1-[2-hydroxy-4-methyl-2-(trifluoromethyl)pentanoyl]piperidin-4-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide (PubChem CID 129146150) has the molecular formula C25H36ClF3N4O3 and a molecular weight of 533.04 g/mol. Its IUPAC name is 2-chloro-6-[4-[1-[2-hydroxy-4-methyl-2-(trifluoromethyl)pentanoyl]piperidin-4-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-chloro-6-[4-[1-[2-hydroxy-4-methyl-2-(trifluoromethyl)pentanoyl]piperidin-4-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
• PubChem CID: 129146150
• Molecular Formula: C25H36ClF3N4O3
• Molecular Weight: 533.04 g/mol
• Exact Mass: 532.24
• IUPAC Name: 2-chloro-6-[4-[1-[2-hydroxy-4-methyl-2-(trifluoromethyl)pentanoyl]piperidin-4-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
• SMILES: CC(C)CC(O)(C(=O)N1CCC(C2CCN(c3ccc(C(=O)N(C)C)c(Cl)n3)CC2)CC1)C(F)(F)F
• InChI: InChI=1S/C25H36ClF3N4O3/c1-16(2)15-24(36,25(27,28)29)23(35)33-13-9-18(10-14-33)17-7-11-32(12-8-17)20-6-5-19(21(26)30-20)22(34)31(3)4/h5-6,16-18,36H,7-15H2,1-4H3
• InChIKey: SHCIYNZTZNIKGF-UHFFFAOYSA-N
• XLogP: 4.23
• TPSA: 76.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	533.04
LogP ≤ 5	4.23
H-Bond Donors ≤ 5	1
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-4-methyl-2-(trifluoromethyl)pentanoyl]piperidin-4-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide?

The IUPAC name of 2-chloro-6-[4-[1-[2-hydroxy-4-methyl-2-(trifluoromethyl)pentanoyl]piperidin-4-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide (CID 129146150) is 2-chloro-6-[4-[1-[2-hydroxy-4-methyl-2-(trifluoromethyl)pentanoyl]piperidin-4-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide.

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

The canonical SMILES for 2-chloro-6-[4-[1-[2-hydroxy-4-methyl-2-(trifluoromethyl)pentanoyl]piperidin-4-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide is CC(C)CC(O)(C(=O)N1CCC(C2CCN(c3ccc(C(=O)N(C)C)c(Cl)n3)CC2)CC1)C(F)(F)F.

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

The InChIKey is SHCIYNZTZNIKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36ClF3N4O3/c1-16(2)15-24(36,25(27,28)29)23(35)33-13-9-18(10-14-33)17-7-11-32(12-8-17)20-6-5-19(21(26)30-20)22(34)31(3)4/h5-6,16-18,36H,7-15H2,1-4H3.

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

2-chloro-6-[4-[1-[2-hydroxy-4-methyl-2-(trifluoromethyl)pentanoyl]piperidin-4-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 533.04 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-6-[4-[1-[2-hydroxy-4-methyl-2-(trifluoromethyl)pentanoyl]piperidin-4-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 129146150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).