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

• ChemBase ID: 728069
• Molecular Formular: C23H28N2O2
• Molecular Mass: 364.48062
• Monoisotopic Mass: 364.21507815
• SMILES: N1(CCC(Oc2cc(C(=O)NCc3ccccc3)ccc2)CC1)C1CCC1
• Canonical SMILES: O=C(c1cccc(c1)OC1CCN(CC1)C1CCC1)NCc1ccccc1
• InChI: InChI=1S/C23H28N2O2/c26-23(24-17-18-6-2-1-3-7-18)19-8-4-11-22(16-19)27-21-12-14-25(15-13-21)20-9-5-10-20/h1-4,6-8,11,16,20-21H,5,9-10,12-15,17H2,(H,24,26)
• InChIKey: LACDXJFTCQAJLH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.57463
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.331776
• LogD (pH = 7.4): 1.9070699
• Log P: 3.5513034
• Molar Refractivity: 108.3722 cm^3
• Polarizability: 41.92317 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.74
• LOG S: -5.22
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 6