2-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-5-methoxy-N-[(6-methylpyridin-2-yl)methyl]benzamide

• ChemBase ID: 854826
• Molecular Formular: C24H29N3O4
• Molecular Mass: 423.50476
• Monoisotopic Mass: 423.21580642
• SMILES: c1(C(=O)NCc2nc(ccc2)C)c(OC2CCN(C(=O)C3CC3)CC2)ccc(c1)OC
• Canonical SMILES: COc1ccc(c(c1)C(=O)NCc1cccc(n1)C)OC1CCN(CC1)C(=O)C1CC1
• InChI: InChI=1S/C24H29N3O4/c1-16-4-3-5-18(26-16)15-25-23(28)21-14-20(30-2)8-9-22(21)31-19-10-12-27(13-11-19)24(29)17-6-7-17/h3-5,8-9,14,17,19H,6-7,10-13,15H2,1-2H3,(H,25,28)
• InChIKey: RCKRVRVVLSZTGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-5-methoxy-N-[(6-methylpyridin-2-yl)methyl]benzamide
• IUPAC Traditional name: 2-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-5-methoxy-N-[(6-methylpyridin-2-yl)methyl]benzamide
• Synonyms: 2-{[1-(cyclopropylcarbonyl)-4-piperidinyl]oxy}-5-methoxy-N-[(6-methyl-2-pyridinyl)methyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.575327
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.3990111
• LogD (pH = 7.4): 1.4841546
• Log P: 1.4853591
• Molar Refractivity: 116.606 cm^3
• Polarizability: 44.99462 Å^3
• Polar Surface Area: 80.76 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.0
• LOG S: -5.36
• Polar Surface Area: 80.76 Å^2
• Rotatable Bonds: 6