N-[3-[[4-[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide

C26H26F6N6O2 — CID 87498624

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

N-[3-[[4-[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide (PubChem CID 87498624) has the molecular formula C26H26F6N6O2 and a molecular weight of 568.52 g/mol. Its IUPAC name is N-[3-[[4-[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide.

Molecular Properties

• Compound Name: N-[3-[[4-[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide
• PubChem CID: 87498624
• Molecular Formula: C26H26F6N6O2
• Molecular Weight: 568.52 g/mol
• Exact Mass: 568.20
• IUPAC Name: N-[3-[[4-[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide
• SMILES: CC(=O)Nc1cccc(Nc2ncnc(N3CCC(OCc4ccc(C(F)(F)F)cc4C(F)(F)F)CC3)n2)c1C
• InChI: InChI=1S/C26H26F6N6O2/c1-15-21(35-16(2)39)4-3-5-22(15)36-23-33-14-34-24(37-23)38-10-8-19(9-11-38)40-13-17-6-7-18(25(27,28)29)12-20(17)26(30,31)32/h3-7,12,14,19H,8-11,13H2,1-2H3,(H,35,39)(H,33,34,36,37)
• InChIKey: BRRPNUWKOXOWSP-UHFFFAOYSA-N
• XLogP: 6.11
• TPSA: 92.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	568.52
LogP ≤ 5	6.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[3-[[4-[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide (CID 87498624) is N-[3-[[4-[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide.

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

The canonical SMILES for N-[3-[[4-[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide is CC(=O)Nc1cccc(Nc2ncnc(N3CCC(OCc4ccc(C(F)(F)F)cc4C(F)(F)F)CC3)n2)c1C.

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

The InChIKey is BRRPNUWKOXOWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F6N6O2/c1-15-21(35-16(2)39)4-3-5-22(15)36-23-33-14-34-24(37-23)38-10-8-19(9-11-38)40-13-17-6-7-18(25(27,28)29)12-20(17)26(30,31)32/h3-7,12,14,19H,8-11,13H2,1-2H3,(H,35,39)(H,33,34,36,37).

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

N-[3-[[4-[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide has a molecular weight of 568.52 g/mol, XLogP of 6.11, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[4-[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide is sourced from PubChem (CID 87498624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).