4-[(1-acetylpiperidin-4-yl)oxy]-N-[(4-fluorophenyl)methyl]-3-methoxy-N-methylbenzamide

• ChemBase ID: 599578
• Molecular Formular: C23H27FN2O4
• Molecular Mass: 414.4698832
• Monoisotopic Mass: 414.19548557
• SMILES: C(=O)(N(Cc1ccc(F)cc1)C)c1cc(c(OC2CCN(C(=O)C)CC2)cc1)OC
• Canonical SMILES: COc1cc(ccc1OC1CCN(CC1)C(=O)C)C(=O)N(Cc1ccc(cc1)F)C
• InChI: InChI=1S/C23H27FN2O4/c1-16(27)26-12-10-20(11-13-26)30-21-9-6-18(14-22(21)29-3)23(28)25(2)15-17-4-7-19(24)8-5-17/h4-9,14,20H,10-13,15H2,1-3H3
• InChIKey: WQZVWCZIJVJWTH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(1-acetylpiperidin-4-yl)oxy]-N-[(4-fluorophenyl)methyl]-3-methoxy-N-methylbenzamide
• IUPAC Traditional name: 4-[(1-acetylpiperidin-4-yl)oxy]-N-[(4-fluorophenyl)methyl]-3-methoxy-N-methylbenzamide
• Synonyms: 4-[(1-acetyl-4-piperidinyl)oxy]-N-(4-fluorobenzyl)-3-methoxy-N-methylbenzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.076771
• LogD (pH = 7.4): 2.0767713
• Log P: 2.0767713
• Molar Refractivity: 112.4075 cm^3
• Polarizability: 42.691254 Å^3
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.49
• LOG S: -3.5
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 5