N-methyl-3-[[4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]benzamide

C23H23F3N6O3 — CID 121312792

IUPACN-methyl-3-[[4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]benzamide
SMILESCNC(=O)c1cccc(Nc2ncnc(N3CCC(Oc4ccc(OC(F)(F)F)cc4)CC3)n2)c1
InChIInChI=1S/C23H23F3N6O3/c1-27-20(33)15-3-2-4-16(13-15)30-21-28-14-29-22(31-21)32-11-9-18(10-12-32)34-17-5-7-19(8-6-17)35-23(24,25)26/h2-8,13-14,18H,9-12H2,1H3,(H,27,33)(H,28,29,30,31)
InChIKeyMRNSTJNYJIZTQO-UHFFFAOYSA-N
MW488.47 g/mol
LogP3.92
Rot. Bonds7

About N-methyl-3-[[4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]benzamide

N-methyl-3-[[4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]benzamide (PubChem CID 121312792) has the molecular formula C23H23F3N6O3 and a molecular weight of 488.47 g/mol. Its IUPAC name is N-methyl-3-[[4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]benzamide.

Molecular Properties

Compound NameN-methyl-3-[[4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]benzamide
PubChem CID121312792
Molecular FormulaC23H23F3N6O3
Molecular Weight488.47 g/mol
Exact Mass488.18
IUPAC NameN-methyl-3-[[4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]benzamide
SMILESCNC(=O)c1cccc(Nc2ncnc(N3CCC(Oc4ccc(OC(F)(F)F)cc4)CC3)n2)c1
InChIInChI=1S/C23H23F3N6O3/c1-27-20(33)15-3-2-4-16(13-15)30-21-28-14-29-22(31-21)32-11-9-18(10-12-32)34-17-5-7-19(8-6-17)35-23(24,25)26/h2-8,13-14,18H,9-12H2,1H3,(H,27,33)(H,28,29,30,31)
InChIKeyMRNSTJNYJIZTQO-UHFFFAOYSA-N
XLogP3.92
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.47
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

CID 53362558
CID 53362558
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CID 53371553
CID 53371553
CID 53371554
CID 53371554
CID 53371555
CID 53371555
CID 53371556
CID 53371556
CID 53371557
CID 53371557
CID 53371691
CID 53371691
CID 53371693
CID 53371693
CID 53371695
CID 53371695
CID 53371821
CID 53371821
CID 53371944
CID 53371944

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]benzamide?
The IUPAC name of N-methyl-3-[[4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]benzamide (CID 121312792) is N-methyl-3-[[4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]benzamide.
What is the SMILES notation for N-methyl-3-[[4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]benzamide?
The canonical SMILES for N-methyl-3-[[4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]benzamide is CNC(=O)c1cccc(Nc2ncnc(N3CCC(Oc4ccc(OC(F)(F)F)cc4)CC3)n2)c1.
What is the InChIKey of N-methyl-3-[[4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]benzamide?
The InChIKey is MRNSTJNYJIZTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N6O3/c1-27-20(33)15-3-2-4-16(13-15)30-21-28-14-29-22(31-21)32-11-9-18(10-12-32)34-17-5-7-19(8-6-17)35-23(24,25)26/h2-8,13-14,18H,9-12H2,1H3,(H,27,33)(H,28,29,30,31).
What are the key properties of N-methyl-3-[[4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]benzamide?
N-methyl-3-[[4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]benzamide has a molecular weight of 488.47 g/mol, XLogP of 3.92, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]benzamide is sourced from PubChem (CID 121312792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).