2-(4-{3-[(2-methylphenyl)methoxy]azetidine-1-carbonyl}piperidin-1-yl)acetamide

• ChemBase ID: 685245
• Molecular Formular: C19H27N3O3
• Molecular Mass: 345.43598
• Monoisotopic Mass: 345.20524174
• SMILES: N1(C(=O)C2CCN(CC(=O)N)CC2)CC(C1)OCc1c(C)cccc1
• Canonical SMILES: NC(=O)CN1CCC(CC1)C(=O)N1CC(C1)OCc1ccccc1C
• InChI: InChI=1S/C19H27N3O3/c1-14-4-2-3-5-16(14)13-25-17-10-22(11-17)19(24)15-6-8-21(9-7-15)12-18(20)23/h2-5,15,17H,6-13H2,1H3,(H2,20,23)
• InChIKey: SKKICLAFEBFJJZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-{3-[(2-methylphenyl)methoxy]azetidine-1-carbonyl}piperidin-1-yl)acetamide
• IUPAC Traditional name: 2-(4-{3-[(2-methylphenyl)methoxy]azetidine-1-carbonyl}piperidin-1-yl)acetamide
• Synonyms: 2-[4-({3-[(2-methylbenzyl)oxy]-1-azetidinyl}carbonyl)-1-piperidinyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.049284
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.076876
• LogD (pH = 7.4): 0.42966968
• Log P: 0.65389144
• Molar Refractivity: 96.2909 cm^3
• Polarizability: 37.372036 Å^3
• Polar Surface Area: 75.87 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.03
• LOG S: -2.6
• Polar Surface Area: 75.87 Å^2
• Rotatable Bonds: 6