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

C24H25F3N6O2 — CID 45137326

IUPACN-[2-methyl-3-[[4-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2ncnc(N3CCC(Oc4cccc(C(F)(F)F)c4)CC3)n2)c1C
InChIInChI=1S/C24H25F3N6O2/c1-15-20(30-16(2)34)7-4-8-21(15)31-22-28-14-29-23(32-22)33-11-9-18(10-12-33)35-19-6-3-5-17(13-19)24(25,26)27/h3-8,13-14,18H,9-12H2,1-2H3,(H,30,34)(H,28,29,31,32)
InChIKeyMXJSTXYGXCWWBP-UHFFFAOYSA-N
MW486.50 g/mol
LogP4.95
Rot. Bonds6

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

N-[2-methyl-3-[[4-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide (PubChem CID 45137326) has the molecular formula C24H25F3N6O2 and a molecular weight of 486.50 g/mol. Its IUPAC name is N-[2-methyl-3-[[4-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-methyl-3-[[4-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
PubChem CID45137326
Molecular FormulaC24H25F3N6O2
Molecular Weight486.50 g/mol
Exact Mass486.20
IUPAC NameN-[2-methyl-3-[[4-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2ncnc(N3CCC(Oc4cccc(C(F)(F)F)c4)CC3)n2)c1C
InChIInChI=1S/C24H25F3N6O2/c1-15-20(30-16(2)34)7-4-8-21(15)31-22-28-14-29-23(32-22)33-11-9-18(10-12-33)35-19-6-3-5-17(13-19)24(25,26)27/h3-8,13-14,18H,9-12H2,1-2H3,(H,30,34)(H,28,29,31,32)
InChIKeyMXJSTXYGXCWWBP-UHFFFAOYSA-N
XLogP4.95
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.50
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-[[4-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
The IUPAC name of N-[2-methyl-3-[[4-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide (CID 45137326) is N-[2-methyl-3-[[4-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[2-methyl-3-[[4-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[2-methyl-3-[[4-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide is CC(=O)Nc1cccc(Nc2ncnc(N3CCC(Oc4cccc(C(F)(F)F)c4)CC3)n2)c1C.
What is the InChIKey of N-[2-methyl-3-[[4-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
The InChIKey is MXJSTXYGXCWWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N6O2/c1-15-20(30-16(2)34)7-4-8-21(15)31-22-28-14-29-23(32-22)33-11-9-18(10-12-33)35-19-6-3-5-17(13-19)24(25,26)27/h3-8,13-14,18H,9-12H2,1-2H3,(H,30,34)(H,28,29,31,32).
What are the key properties of N-[2-methyl-3-[[4-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
N-[2-methyl-3-[[4-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide has a molecular weight of 486.50 g/mol, XLogP of 4.95, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-[[4-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide is sourced from PubChem (CID 45137326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).