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

C26H29F3N6O3 — CID 68521286

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

N-[2-methyl-3-[[4-[4-methyl-4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide (PubChem CID 68521286) has the molecular formula C26H29F3N6O3 and a molecular weight of 530.55 g/mol. Its IUPAC name is N-[2-methyl-3-[[4-[4-methyl-4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[2-methyl-3-[[4-[4-methyl-4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
• PubChem CID: 68521286
• Molecular Formula: C26H29F3N6O3
• Molecular Weight: 530.55 g/mol
• Exact Mass: 530.23
• IUPAC Name: N-[2-methyl-3-[[4-[4-methyl-4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
• SMILES: CC(=O)Nc1cccc(Nc2ncnc(N3CCC(C)(OCc4ccc(OC(F)(F)F)cc4)CC3)n2)c1C
• InChI: InChI=1S/C26H29F3N6O3/c1-17-21(32-18(2)36)5-4-6-22(17)33-23-30-16-31-24(34-23)35-13-11-25(3,12-14-35)37-15-19-7-9-20(10-8-19)38-26(27,28)29/h4-10,16H,11-15H2,1-3H3,(H,32,36)(H,30,31,33,34)
• InChIKey: MIRZCZOISKTPEZ-UHFFFAOYSA-N
• XLogP: 5.36
• TPSA: 101.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	530.55
LogP ≤ 5	5.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[2-methyl-3-[[4-[4-methyl-4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide (CID 68521286) is N-[2-methyl-3-[[4-[4-methyl-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-methyl-3-[[4-[4-methyl-4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide?

The canonical SMILES for N-[2-methyl-3-[[4-[4-methyl-4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide is CC(=O)Nc1cccc(Nc2ncnc(N3CCC(C)(OCc4ccc(OC(F)(F)F)cc4)CC3)n2)c1C.

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

The InChIKey is MIRZCZOISKTPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F3N6O3/c1-17-21(32-18(2)36)5-4-6-22(17)33-23-30-16-31-24(34-23)35-13-11-25(3,12-14-35)37-15-19-7-9-20(10-8-19)38-26(27,28)29/h4-10,16H,11-15H2,1-3H3,(H,32,36)(H,30,31,33,34).

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

N-[2-methyl-3-[[4-[4-methyl-4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide has a molecular weight of 530.55 g/mol, XLogP of 5.36, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-methyl-3-[[4-[4-methyl-4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide is sourced from PubChem (CID 68521286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).