N-cyclohexyl-N-methyl-4-{[1-(pyridine-3-carbonyl)piperidin-4-yl]oxy}benzamide

• ChemBase ID: 735892
• Molecular Formular: C25H31N3O3
• Molecular Mass: 421.53194
• Monoisotopic Mass: 421.23654187
• SMILES: C(=O)(N(C1CCCCC1)C)c1ccc(OC2CCN(C(=O)c3cnccc3)CC2)cc1
• Canonical SMILES: CN(C(=O)c1ccc(cc1)OC1CCN(CC1)C(=O)c1cccnc1)C1CCCCC1
• InChI: InChI=1S/C25H31N3O3/c1-27(21-7-3-2-4-8-21)24(29)19-9-11-22(12-10-19)31-23-13-16-28(17-14-23)25(30)20-6-5-15-26-18-20/h5-6,9-12,15,18,21,23H,2-4,7-8,13-14,16-17H2,1H3
• InChIKey: YMRSLOLXPWNUBD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclohexyl-N-methyl-4-{[1-(pyridine-3-carbonyl)piperidin-4-yl]oxy}benzamide
• IUPAC Traditional name: N-cyclohexyl-N-methyl-4-{[1-(pyridine-3-carbonyl)piperidin-4-yl]oxy}benzamide
• Synonyms: N-cyclohexyl-N-methyl-4-{[1-(3-pyridinylcarbonyl)-4-piperidinyl]oxy}benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.7980943
• LogD (pH = 7.4): 2.8029773
• Log P: 2.80304
• Molar Refractivity: 120.6431 cm^3
• Polarizability: 46.007385 Å^3
• Polar Surface Area: 62.74 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.23
• LOG S: -5.05
• Polar Surface Area: 62.74 Å^2
• Rotatable Bonds: 5