N-[2,6-difluoro-3-[[4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide

C24H23F5N6O3 — CID 68519618

About N-[2,6-difluoro-3-[[4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide

N-[2,6-difluoro-3-[[4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide (PubChem CID 68519618) has the molecular formula C24H23F5N6O3 and a molecular weight of 538.48 g/mol. Its IUPAC name is N-[2,6-difluoro-3-[[4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[2,6-difluoro-3-[[4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
• PubChem CID: 68519618
• Molecular Formula: C24H23F5N6O3
• Molecular Weight: 538.48 g/mol
• Exact Mass: 538.18
• IUPAC Name: N-[2,6-difluoro-3-[[4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
• SMILES: CC(=O)Nc1c(F)ccc(Nc2ncnc(N3CCC(OCc4ccc(OC(F)(F)F)cc4)CC3)n2)c1F
• InChI: InChI=1S/C24H23F5N6O3/c1-14(36)32-21-18(25)6-7-19(20(21)26)33-22-30-13-31-23(34-22)35-10-8-16(9-11-35)37-12-15-2-4-17(5-3-15)38-24(27,28)29/h2-7,13,16H,8-12H2,1H3,(H,32,36)(H,30,31,33,34)
• InChIKey: IZBFQFBMWZUIJR-UHFFFAOYSA-N
• XLogP: 4.94
• TPSA: 101.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	538.48
LogP ≤ 5	4.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2,6-difluoro-3-[[4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide?

The IUPAC name of N-[2,6-difluoro-3-[[4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide (CID 68519618) is N-[2,6-difluoro-3-[[4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide.

What is the SMILES notation for N-[2,6-difluoro-3-[[4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide?

The canonical SMILES for N-[2,6-difluoro-3-[[4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide is CC(=O)Nc1c(F)ccc(Nc2ncnc(N3CCC(OCc4ccc(OC(F)(F)F)cc4)CC3)n2)c1F.

What is the InChIKey of N-[2,6-difluoro-3-[[4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide?

The InChIKey is IZBFQFBMWZUIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F5N6O3/c1-14(36)32-21-18(25)6-7-19(20(21)26)33-22-30-13-31-23(34-22)35-10-8-16(9-11-35)37-12-15-2-4-17(5-3-15)38-24(27,28)29/h2-7,13,16H,8-12H2,1H3,(H,32,36)(H,30,31,33,34).

What are the key properties of N-[2,6-difluoro-3-[[4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide?

N-[2,6-difluoro-3-[[4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide has a molecular weight of 538.48 g/mol, XLogP of 4.94, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2,6-difluoro-3-[[4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide is sourced from PubChem (CID 68519618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).