N-[1-[1-[2-(2,5-dimethylphenyl)acetyl]piperidin-4-yl]piperidin-4-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide

C29H36F3N3O3 — CID 171683146

About N-[1-[1-[2-(2,5-dimethylphenyl)acetyl]piperidin-4-yl]piperidin-4-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide

N-[1-[1-[2-(2,5-dimethylphenyl)acetyl]piperidin-4-yl]piperidin-4-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 171683146) has the molecular formula C29H36F3N3O3 and a molecular weight of 531.62 g/mol. Its IUPAC name is N-[1-[1-[2-(2,5-dimethylphenyl)acetyl]piperidin-4-yl]piperidin-4-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

• Compound Name: N-[1-[1-[2-(2,5-dimethylphenyl)acetyl]piperidin-4-yl]piperidin-4-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide
• PubChem CID: 171683146
• Molecular Formula: C29H36F3N3O3
• Molecular Weight: 531.62 g/mol
• Exact Mass: 531.27
• IUPAC Name: N-[1-[1-[2-(2,5-dimethylphenyl)acetyl]piperidin-4-yl]piperidin-4-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide
• SMILES: Cc1ccc(C)c(CC(=O)N2CCC(N3CCC(NC(=O)Cc4ccc(OC(F)(F)F)cc4)CC3)CC2)c1
• InChI: InChI=1S/C29H36F3N3O3/c1-20-3-4-21(2)23(17-20)19-28(37)35-15-11-25(12-16-35)34-13-9-24(10-14-34)33-27(36)18-22-5-7-26(8-6-22)38-29(30,31)32/h3-8,17,24-25H,9-16,18-19H2,1-2H3,(H,33,36)
• InChIKey: RXJYJYWDMSHUOD-UHFFFAOYSA-N
• XLogP: 4.56
• TPSA: 61.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	531.62
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[2-(2,5-dimethylphenyl)acetyl]piperidin-4-yl]piperidin-4-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide?

The IUPAC name of N-[1-[1-[2-(2,5-dimethylphenyl)acetyl]piperidin-4-yl]piperidin-4-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide (CID 171683146) is N-[1-[1-[2-(2,5-dimethylphenyl)acetyl]piperidin-4-yl]piperidin-4-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide.

What is the SMILES notation for N-[1-[1-[2-(2,5-dimethylphenyl)acetyl]piperidin-4-yl]piperidin-4-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide?

The canonical SMILES for N-[1-[1-[2-(2,5-dimethylphenyl)acetyl]piperidin-4-yl]piperidin-4-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide is Cc1ccc(C)c(CC(=O)N2CCC(N3CCC(NC(=O)Cc4ccc(OC(F)(F)F)cc4)CC3)CC2)c1.

What is the InChIKey of N-[1-[1-[2-(2,5-dimethylphenyl)acetyl]piperidin-4-yl]piperidin-4-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide?

The InChIKey is RXJYJYWDMSHUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36F3N3O3/c1-20-3-4-21(2)23(17-20)19-28(37)35-15-11-25(12-16-35)34-13-9-24(10-14-34)33-27(36)18-22-5-7-26(8-6-22)38-29(30,31)32/h3-8,17,24-25H,9-16,18-19H2,1-2H3,(H,33,36).

What are the key properties of N-[1-[1-[2-(2,5-dimethylphenyl)acetyl]piperidin-4-yl]piperidin-4-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide?

N-[1-[1-[2-(2,5-dimethylphenyl)acetyl]piperidin-4-yl]piperidin-4-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 531.62 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[1-[2-(2,5-dimethylphenyl)acetyl]piperidin-4-yl]piperidin-4-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 171683146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).