N-[3-[[4-[(3R,4R)-3-fluoro-4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide

C24H24F4N6O2 — CID 68560498

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

N-[3-[[4-[(3R,4R)-3-fluoro-4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide (PubChem CID 68560498) has the molecular formula C24H24F4N6O2 and a molecular weight of 504.49 g/mol. Its IUPAC name is N-[3-[[4-[(3R,4R)-3-fluoro-4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide.

Molecular Properties

• Compound Name: N-[3-[[4-[(3R,4R)-3-fluoro-4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide
• PubChem CID: 68560498
• Molecular Formula: C24H24F4N6O2
• Molecular Weight: 504.49 g/mol
• Exact Mass: 504.19
• IUPAC Name: N-[3-[[4-[(3R,4R)-3-fluoro-4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide
• SMILES: CC(=O)Nc1cccc(Nc2ncnc(N3CC[C@H](c4ccc(OC(F)(F)F)cc4)[C@@H](F)C3)n2)c1C
• InChI: InChI=1S/C24H24F4N6O2/c1-14-20(31-15(2)35)4-3-5-21(14)32-22-29-13-30-23(33-22)34-11-10-18(19(25)12-34)16-6-8-17(9-7-16)36-24(26,27)28/h3-9,13,18-19H,10-12H2,1-2H3,(H,31,35)(H,29,30,32,33)/t18-,19+/m1/s1
• InChIKey: KZCUIFRSTZICRX-MOPGFXCFSA-N
• XLogP: 5.11
• TPSA: 92.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	504.49
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[3-[[4-[(3R,4R)-3-fluoro-4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide (CID 68560498) is N-[3-[[4-[(3R,4R)-3-fluoro-4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide.

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

The canonical SMILES for N-[3-[[4-[(3R,4R)-3-fluoro-4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide is CC(=O)Nc1cccc(Nc2ncnc(N3CC[C@H](c4ccc(OC(F)(F)F)cc4)[C@@H](F)C3)n2)c1C.

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

The InChIKey is KZCUIFRSTZICRX-MOPGFXCFSA-N. The full InChI is InChI=1S/C24H24F4N6O2/c1-14-20(31-15(2)35)4-3-5-21(14)32-22-29-13-30-23(33-22)34-11-10-18(19(25)12-34)16-6-8-17(9-7-16)36-24(26,27)28/h3-9,13,18-19H,10-12H2,1-2H3,(H,31,35)(H,29,30,32,33)/t18-,19+/m1/s1.

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

N-[3-[[4-[(3R,4R)-3-fluoro-4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide has a molecular weight of 504.49 g/mol, XLogP of 5.11, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[4-[(3R,4R)-3-fluoro-4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide is sourced from PubChem (CID 68560498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).