N-[(1-benzylpiperidin-3-yl)methyl]-2-(2-methoxyphenoxy)acetamide

• ChemBase ID: 641951
• Molecular Formular: C22H28N2O3
• Molecular Mass: 368.46932
• Monoisotopic Mass: 368.20999277
• SMILES: N1(CC(CNC(=O)COc2c(OC)cccc2)CCC1)Cc1ccccc1
• Canonical SMILES: COc1ccccc1OCC(=O)NCC1CCCN(C1)Cc1ccccc1
• InChI: InChI=1S/C22H28N2O3/c1-26-20-11-5-6-12-21(20)27-17-22(25)23-14-19-10-7-13-24(16-19)15-18-8-3-2-4-9-18/h2-6,8-9,11-12,19H,7,10,13-17H2,1H3,(H,23,25)
• InChIKey: KCHAZVFHXKZAJT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-benzylpiperidin-3-yl)methyl]-2-(2-methoxyphenoxy)acetamide
• IUPAC Traditional name: N-[(1-benzylpiperidin-3-yl)methyl]-2-(2-methoxyphenoxy)acetamide
• Synonyms: N-[(1-benzyl-3-piperidinyl)methyl]-2-(2-methoxyphenoxy)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.227482
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.39407012
• LogD (pH = 7.4): 1.2000759
• Log P: 2.8060567
• Molar Refractivity: 106.5708 cm^3
• Polarizability: 41.698826 Å^3
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.03
• LOG S: -2.9
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 7