N-(2-{1-[(2-phenylphenyl)methyl]piperidin-2-yl}ethyl)acetamide

• ChemBase ID: 611099
• Molecular Formular: C22H28N2O
• Molecular Mass: 336.47052
• Monoisotopic Mass: 336.22016353
• SMILES: N1(Cc2c(c3ccccc3)cccc2)C(CCNC(=O)C)CCCC1
• Canonical SMILES: CC(=O)NCCC1CCCCN1Cc1ccccc1c1ccccc1
• InChI: InChI=1S/C22H28N2O/c1-18(25)23-15-14-21-12-7-8-16-24(21)17-20-11-5-6-13-22(20)19-9-3-2-4-10-19/h2-6,9-11,13,21H,7-8,12,14-17H2,1H3,(H,23,25)
• InChIKey: WLRPDDANSNLCGK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-{1-[(2-phenylphenyl)methyl]piperidin-2-yl}ethyl)acetamide
• IUPAC Traditional name: N-(2-{1-[(2-phenylphenyl)methyl]piperidin-2-yl}ethyl)acetamide
• Synonyms: N-{2-[1-(2-biphenylylmethyl)-2-piperidinyl]ethyl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.243605
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.1304121
• LogD (pH = 7.4): 1.2711772
• Log P: 3.5538237
• Molar Refractivity: 103.8081 cm^3
• Polarizability: 41.797108 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.5
• LOG S: -4.64
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 6