5-methyl-2-(methylamino)-N-[2-(1-methylpiperidin-3-yl)ethyl]benzamide

• ChemBase ID: 831568
• Molecular Formular: C17H27N3O
• Molecular Mass: 289.41578
• Monoisotopic Mass: 289.2154125
• SMILES: c1(C(=O)NCCC2CN(CCC2)C)c(ccc(c1)C)NC
• Canonical SMILES: CNc1ccc(cc1C(=O)NCCC1CCCN(C1)C)C
• InChI: InChI=1S/C17H27N3O/c1-13-6-7-16(18-2)15(11-13)17(21)19-9-8-14-5-4-10-20(3)12-14/h6-7,11,14,18H,4-5,8-10,12H2,1-3H3,(H,19,21)
• InChIKey: SGOLANZERMENGJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-2-(methylamino)-N-[2-(1-methylpiperidin-3-yl)ethyl]benzamide
• IUPAC Traditional name: 5-methyl-2-(methylamino)-N-[2-(1-methylpiperidin-3-yl)ethyl]benzamide
• Synonyms: 5-methyl-2-(methylamino)-N-[2-(1-methylpiperidin-3-yl)ethyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.426173
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.7450846
• LogD (pH = 7.4): 0.6144447
• Log P: 2.6157372
• Molar Refractivity: 90.1382 cm^3
• Polarizability: 33.439373 Å^3
• Polar Surface Area: 44.37 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 3.05
• LOG S: -3.92
• Polar Surface Area: 44.37 Å^2
• Rotatable Bonds: 5