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

• ChemBase ID: 60858
• Molecular Formular: C15H17N5O
• Molecular Mass: 283.32838
• Monoisotopic Mass: 283.14331019
• SMILES: n1c(ncnc1NC(=O)c1ccccc1)N1CCCCC1
• Canonical SMILES: O=C(c1ccccc1)Nc1ncnc(n1)N1CCCCC1
• InChI: InChI=1S/C15H17N5O/c21-13(12-7-3-1-4-8-12)18-14-16-11-17-15(19-14)20-9-5-2-6-10-20/h1,3-4,7-8,11H,2,5-6,9-10H2,(H,16,17,18,19,21)
• InChIKey: ZEBCWUXHLLMKDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-(piperidin-1-yl)-1,3,5-triazin-2-yl]benzamide
• IUPAC Traditional name: N-[4-(piperidin-1-yl)-1,3,5-triazin-2-yl]benzamide
• Synonyms: N-(4-Piperidin-1-yl-1,3,5-triazin-2-yl)benzamide

Database IDs

• MDL Number: MFCD13814789
• PubChem SID: 162026599
• PubChem CID: 30465267

CALCULATED PROPERTIES

• LogD (pH = 7.4): 3.0436127
• Log P: 3.263599
• Molar Refractivity: 84.5177 cm^3
• Polarizability: 29.89228 Å^3
• Polar Surface Area: 71.01 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 7.543287
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 3.259864

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false