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

C22H24N6O2 — CID 53372082

IUPACN-methyl-3-[[4-(4-phenoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]benzamide
SMILESCNC(=O)c1cccc(Nc2ncnc(N3CCC(Oc4ccccc4)CC3)n2)c1
InChIInChI=1S/C22H24N6O2/c1-23-20(29)16-6-5-7-17(14-16)26-21-24-15-25-22(27-21)28-12-10-19(11-13-28)30-18-8-3-2-4-9-18/h2-9,14-15,19H,10-13H2,1H3,(H,23,29)(H,24,25,26,27)
InChIKeyGWZPJOODPNBCRI-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.02
Rot. Bonds6

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

N-methyl-3-[[4-(4-phenoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]benzamide (PubChem CID 53372082) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-methyl-3-[[4-(4-phenoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]benzamide.

Molecular Properties

Compound NameN-methyl-3-[[4-(4-phenoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]benzamide
PubChem CID53372082
Molecular FormulaC22H24N6O2
Molecular Weight404.47 g/mol
Exact Mass404.20
IUPAC NameN-methyl-3-[[4-(4-phenoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]benzamide
SMILESCNC(=O)c1cccc(Nc2ncnc(N3CCC(Oc4ccccc4)CC3)n2)c1
InChIInChI=1S/C22H24N6O2/c1-23-20(29)16-6-5-7-17(14-16)26-21-24-15-25-22(27-21)28-12-10-19(11-13-28)30-18-8-3-2-4-9-18/h2-9,14-15,19H,10-13H2,1H3,(H,23,29)(H,24,25,26,27)
InChIKeyGWZPJOODPNBCRI-UHFFFAOYSA-N
XLogP3.02
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.02
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-phenoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]benzamide?
The IUPAC name of N-methyl-3-[[4-(4-phenoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]benzamide (CID 53372082) is N-methyl-3-[[4-(4-phenoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]benzamide.
What is the SMILES notation for N-methyl-3-[[4-(4-phenoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]benzamide?
The canonical SMILES for N-methyl-3-[[4-(4-phenoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]benzamide is CNC(=O)c1cccc(Nc2ncnc(N3CCC(Oc4ccccc4)CC3)n2)c1.
What is the InChIKey of N-methyl-3-[[4-(4-phenoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]benzamide?
The InChIKey is GWZPJOODPNBCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2/c1-23-20(29)16-6-5-7-17(14-16)26-21-24-15-25-22(27-21)28-12-10-19(11-13-28)30-18-8-3-2-4-9-18/h2-9,14-15,19H,10-13H2,1H3,(H,23,29)(H,24,25,26,27).
What are the key properties of N-methyl-3-[[4-(4-phenoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]benzamide?
N-methyl-3-[[4-(4-phenoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]benzamide has a molecular weight of 404.47 g/mol, XLogP of 3.02, 6 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-phenoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]benzamide is sourced from PubChem (CID 53372082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).