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

C22H24N6O — CID 101043344

IUPACN-methyl-3-[[4-(4-phenylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]benzamide
SMILESCNC(=O)c1cccc(Nc2ncnc(N3CCC(c4ccccc4)CC3)n2)c1
InChIInChI=1S/C22H24N6O/c1-23-20(29)18-8-5-9-19(14-18)26-21-24-15-25-22(27-21)28-12-10-17(11-13-28)16-6-3-2-4-7-16/h2-9,14-15,17H,10-13H2,1H3,(H,23,29)(H,24,25,26,27)
InChIKeyDCSHPDWXBLLHJW-UHFFFAOYSA-N
MW388.48 g/mol
LogP3.36
Rot. Bonds5

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

N-methyl-3-[[4-(4-phenylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]benzamide (PubChem CID 101043344) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is N-methyl-3-[[4-(4-phenylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]benzamide.

Molecular Properties

Compound NameN-methyl-3-[[4-(4-phenylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]benzamide
PubChem CID101043344
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC NameN-methyl-3-[[4-(4-phenylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]benzamide
SMILESCNC(=O)c1cccc(Nc2ncnc(N3CCC(c4ccccc4)CC3)n2)c1
InChIInChI=1S/C22H24N6O/c1-23-20(29)18-8-5-9-19(14-18)26-21-24-15-25-22(27-21)28-12-10-17(11-13-28)16-6-3-2-4-7-16/h2-9,14-15,17H,10-13H2,1H3,(H,23,29)(H,24,25,26,27)
InChIKeyDCSHPDWXBLLHJW-UHFFFAOYSA-N
XLogP3.36
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[4-(4-phenylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]benzamide?
The IUPAC name of N-methyl-3-[[4-(4-phenylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]benzamide (CID 101043344) is N-methyl-3-[[4-(4-phenylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]benzamide.
What is the SMILES notation for N-methyl-3-[[4-(4-phenylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]benzamide?
The canonical SMILES for N-methyl-3-[[4-(4-phenylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]benzamide is CNC(=O)c1cccc(Nc2ncnc(N3CCC(c4ccccc4)CC3)n2)c1.
What is the InChIKey of N-methyl-3-[[4-(4-phenylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]benzamide?
The InChIKey is DCSHPDWXBLLHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c1-23-20(29)18-8-5-9-19(14-18)26-21-24-15-25-22(27-21)28-12-10-17(11-13-28)16-6-3-2-4-7-16/h2-9,14-15,17H,10-13H2,1H3,(H,23,29)(H,24,25,26,27).
What are the key properties of N-methyl-3-[[4-(4-phenylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]benzamide?
N-methyl-3-[[4-(4-phenylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]benzamide has a molecular weight of 388.48 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[4-(4-phenylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]benzamide is sourced from PubChem (CID 101043344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).