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

C24H25F3N6O2 — CID 53362558

IUPACN-[2-methyl-3-[[4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2ncnc(N3CCC(Oc4ccc(C(F)(F)F)cc4)CC3)n2)c1C
InChIInChI=1S/C24H25F3N6O2/c1-15-20(30-16(2)34)4-3-5-21(15)31-22-28-14-29-23(32-22)33-12-10-19(11-13-33)35-18-8-6-17(7-9-18)24(25,26)27/h3-9,14,19H,10-13H2,1-2H3,(H,30,34)(H,28,29,31,32)
InChIKeySSYPIIPRUWAYCB-UHFFFAOYSA-N
MW486.50 g/mol
LogP4.95
Rot. Bonds6

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

N-[2-methyl-3-[[4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide (PubChem CID 53362558) has the molecular formula C24H25F3N6O2 and a molecular weight of 486.50 g/mol. Its IUPAC name is N-[2-methyl-3-[[4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-methyl-3-[[4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
PubChem CID53362558
Molecular FormulaC24H25F3N6O2
Molecular Weight486.50 g/mol
Exact Mass486.20
IUPAC NameN-[2-methyl-3-[[4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2ncnc(N3CCC(Oc4ccc(C(F)(F)F)cc4)CC3)n2)c1C
InChIInChI=1S/C24H25F3N6O2/c1-15-20(30-16(2)34)4-3-5-21(15)31-22-28-14-29-23(32-22)33-12-10-19(11-13-33)35-18-8-6-17(7-9-18)24(25,26)27/h3-9,14,19H,10-13H2,1-2H3,(H,30,34)(H,28,29,31,32)
InChIKeySSYPIIPRUWAYCB-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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Related Compounds

N-(2-methyl-3-(4-(4-(4-(trifluoromethoxy)benzyloxy)piperidin-1-yl)-1,3,5-triazin-2-ylamino)phenyl)acetamide
CID 53361524
N-[2-methyl-3-[[4-[4-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 53362500
N-[2-methyl-3-[[4-[4-[(4-methylphenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 53362501
N-[2-methyl-3-[[4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 53362559
N-[2-methyl-3-[[6-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]pyrimidin-4-yl]amino]phenyl]acetamide
CID 53362560
N-[3-[[4-(4-phenoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 53362168
N-[3-[[4-(4-phenylmethoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 53362169
N-[2-methyl-3-[[4-(4-phenylmethoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 53362170
N-[3-[[4-[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide
CID 53362439
N-[3-[[4-[4-[(3-fluorophenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide
CID 53362440
N-[3-[[4-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide
CID 53362441
N-[2-methyl-3-[[4-[4-[[2-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 53362442

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-[[4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
The IUPAC name of N-[2-methyl-3-[[4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide (CID 53362558) is N-[2-methyl-3-[[4-[4-[4-(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-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[2-methyl-3-[[4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide is CC(=O)Nc1cccc(Nc2ncnc(N3CCC(Oc4ccc(C(F)(F)F)cc4)CC3)n2)c1C.
What is the InChIKey of N-[2-methyl-3-[[4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
The InChIKey is SSYPIIPRUWAYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N6O2/c1-15-20(30-16(2)34)4-3-5-21(15)31-22-28-14-29-23(32-22)33-12-10-19(11-13-33)35-18-8-6-17(7-9-18)24(25,26)27/h3-9,14,19H,10-13H2,1-2H3,(H,30,34)(H,28,29,31,32).
What are the key properties of N-[2-methyl-3-[[4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
N-[2-methyl-3-[[4-[4-[4-(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-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide is sourced from PubChem (CID 53362558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).