N-benzyl-3-[(1-benzylpiperidin-4-yl)oxy]benzamide

• ChemBase ID: 524128
• Molecular Formular: C26H28N2O2
• Molecular Mass: 400.51272
• Monoisotopic Mass: 400.21507815
• SMILES: C(=O)(NCc1ccccc1)c1cc(OC2CCN(Cc3ccccc3)CC2)ccc1
• Canonical SMILES: O=C(c1cccc(c1)OC1CCN(CC1)Cc1ccccc1)NCc1ccccc1
• InChI: InChI=1S/C26H28N2O2/c29-26(27-19-21-8-3-1-4-9-21)23-12-7-13-25(18-23)30-24-14-16-28(17-15-24)20-22-10-5-2-6-11-22/h1-13,18,24H,14-17,19-20H2,(H,27,29)
• InChIKey: NWRJCCPSYUIVKD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-3-[(1-benzylpiperidin-4-yl)oxy]benzamide
• IUPAC Traditional name: N-benzyl-3-[(1-benzylpiperidin-4-yl)oxy]benzamide
• Synonyms: N-benzyl-3-[(1-benzyl-4-piperidinyl)oxy]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.574629
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.4338039
• LogD (pH = 7.4): 3.1714237
• Log P: 4.3656435
• Molar Refractivity: 121.1726 cm^3
• Polarizability: 46.741985 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 4.88
• LOG S: -5.64
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 7