2-[(1-methanesulfonylpiperidin-4-yl)oxy]-N-(pyridin-3-ylmethyl)benzamide

• ChemBase ID: 578167
• Molecular Formular: C19H23N3O4S
• Molecular Mass: 389.46862
• Monoisotopic Mass: 389.14092723
• SMILES: S(=O)(=O)(N1CCC(Oc2c(C(=O)NCc3cnccc3)cccc2)CC1)C
• Canonical SMILES: O=C(c1ccccc1OC1CCN(CC1)S(=O)(=O)C)NCc1cccnc1
• InChI: InChI=1S/C19H23N3O4S/c1-27(24,25)22-11-8-16(9-12-22)26-18-7-3-2-6-17(18)19(23)21-14-15-5-4-10-20-13-15/h2-7,10,13,16H,8-9,11-12,14H2,1H3,(H,21,23)
• InChIKey: MGIPCFLRBIFDCZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(1-methanesulfonylpiperidin-4-yl)oxy]-N-(pyridin-3-ylmethyl)benzamide
• IUPAC Traditional name: 2-[(1-methanesulfonylpiperidin-4-yl)oxy]-N-(pyridin-3-ylmethyl)benzamide
• Synonyms: 2-{[1-(methylsulfonyl)piperidin-4-yl]oxy}-N-(pyridin-3-ylmethyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.041823
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.07290255
• LogD (pH = 7.4): 0.14441721
• Log P: 0.14543088
• Molar Refractivity: 102.2753 cm^3
• Polarizability: 40.038715 Å^3
• Polar Surface Area: 88.6 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.15
• LOG S: -1.72
• Polar Surface Area: 88.6 Å^2
• Rotatable Bonds: 5