3-(2-methylphenyl)-3-phenyl-N-(1-propylpiperidin-4-yl)propanamide

• ChemBase ID: 323482
• Molecular Formular: C24H32N2O
• Molecular Mass: 364.52368
• Monoisotopic Mass: 364.25146365
• SMILES: C(c1c(C)cccc1)(CC(=O)NC1CCN(CC1)CCC)c1ccccc1
• Canonical SMILES: CCCN1CCC(CC1)NC(=O)CC(c1ccccc1C)c1ccccc1
• InChI: InChI=1S/C24H32N2O/c1-3-15-26-16-13-21(14-17-26)25-24(27)18-23(20-10-5-4-6-11-20)22-12-8-7-9-19(22)2/h4-12,21,23H,3,13-18H2,1-2H3,(H,25,27)
• InChIKey: ZNSZGXVSFYCRJU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-methylphenyl)-3-phenyl-N-(1-propylpiperidin-4-yl)propanamide
• IUPAC Traditional name: 3-(2-methylphenyl)-3-phenyl-N-(1-propylpiperidin-4-yl)propanamide
• Synonyms: 3-(2-methylphenyl)-3-phenyl-N-(1-propyl-4-piperidinyl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.094086
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.0467868
• LogD (pH = 7.4): 2.5685537
• Log P: 4.3126774
• Molar Refractivity: 113.094 cm^3
• Polarizability: 44.002132 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 4.02
• LOG S: -4.92
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 5