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

C24H25F3N6O2 — CID 127053846

IUPACN-methyl-3-[[4-[4-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]benzamide
SMILESCNC(=O)c1cccc(Nc2ncnc(N3CCC(OCc4ccc(C(F)(F)F)cc4)CC3)n2)c1
InChIInChI=1S/C24H25F3N6O2/c1-28-21(34)17-3-2-4-19(13-17)31-22-29-15-30-23(32-22)33-11-9-20(10-12-33)35-14-16-5-7-18(8-6-16)24(25,26)27/h2-8,13,15,20H,9-12,14H2,1H3,(H,28,34)(H,29,30,31,32)
InChIKeyHSUVKWUVLLISHR-UHFFFAOYSA-N
MW486.50 g/mol
LogP4.18
Rot. Bonds7

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

N-methyl-3-[[4-[4-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]benzamide (PubChem CID 127053846) has the molecular formula C24H25F3N6O2 and a molecular weight of 486.50 g/mol. Its IUPAC name is N-methyl-3-[[4-[4-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]benzamide.

Molecular Properties

Compound NameN-methyl-3-[[4-[4-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]benzamide
PubChem CID127053846
Molecular FormulaC24H25F3N6O2
Molecular Weight486.50 g/mol
Exact Mass486.20
IUPAC NameN-methyl-3-[[4-[4-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]benzamide
SMILESCNC(=O)c1cccc(Nc2ncnc(N3CCC(OCc4ccc(C(F)(F)F)cc4)CC3)n2)c1
InChIInChI=1S/C24H25F3N6O2/c1-28-21(34)17-3-2-4-19(13-17)31-22-29-15-30-23(32-22)33-11-9-20(10-12-33)35-14-16-5-7-18(8-6-16)24(25,26)27/h2-8,13,15,20H,9-12,14H2,1H3,(H,28,34)(H,29,30,31,32)
InChIKeyHSUVKWUVLLISHR-UHFFFAOYSA-N
XLogP4.18
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.50
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[4-[4-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]benzamide?
The IUPAC name of N-methyl-3-[[4-[4-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]benzamide (CID 127053846) is N-methyl-3-[[4-[4-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]benzamide.
What is the SMILES notation for N-methyl-3-[[4-[4-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]benzamide?
The canonical SMILES for N-methyl-3-[[4-[4-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]benzamide is CNC(=O)c1cccc(Nc2ncnc(N3CCC(OCc4ccc(C(F)(F)F)cc4)CC3)n2)c1.
What is the InChIKey of N-methyl-3-[[4-[4-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]benzamide?
The InChIKey is HSUVKWUVLLISHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N6O2/c1-28-21(34)17-3-2-4-19(13-17)31-22-29-15-30-23(32-22)33-11-9-20(10-12-33)35-14-16-5-7-18(8-6-16)24(25,26)27/h2-8,13,15,20H,9-12,14H2,1H3,(H,28,34)(H,29,30,31,32).
What are the key properties of N-methyl-3-[[4-[4-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]benzamide?
N-methyl-3-[[4-[4-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]benzamide has a molecular weight of 486.50 g/mol, XLogP of 4.18, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[4-[4-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]benzamide is sourced from PubChem (CID 127053846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).