N-({2-[3-(piperidine-1-carbonyl)phenyl]phenyl}methyl)propanamide

• ChemBase ID: 385362
• Molecular Formular: C22H26N2O2
• Molecular Mass: 350.45404
• Monoisotopic Mass: 350.19942808
• SMILES: C(=O)(N1CCCCC1)c1cc(c2c(CNC(=O)CC)cccc2)ccc1
• Canonical SMILES: CCC(=O)NCc1ccccc1c1cccc(c1)C(=O)N1CCCCC1
• InChI: InChI=1S/C22H26N2O2/c1-2-21(25)23-16-19-9-4-5-12-20(19)17-10-8-11-18(15-17)22(26)24-13-6-3-7-14-24/h4-5,8-12,15H,2-3,6-7,13-14,16H2,1H3,(H,23,25)
• InChIKey: KHHCCDMVZMDTQZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({2-[3-(piperidine-1-carbonyl)phenyl]phenyl}methyl)propanamide
• IUPAC Traditional name: N-({2-[3-(piperidine-1-carbonyl)phenyl]phenyl}methyl)propanamide
• Synonyms: N-{[3'-(piperidin-1-ylcarbonyl)biphenyl-2-yl]methyl}propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.530469
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.4139805
• LogD (pH = 7.4): 3.4139807
• Log P: 3.4139807
• Molar Refractivity: 104.7521 cm^3
• Polarizability: 41.18403 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.25
• LOG S: -3.68
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 5