4-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-N-[(3-methylpyridin-4-yl)methyl]benzamide

• ChemBase ID: 402242
• Molecular Formular: C23H27N3O3
• Molecular Mass: 393.47878
• Monoisotopic Mass: 393.20524174
• SMILES: C(=O)(N1CCC(CC1)Oc1ccc(C(=O)NCc2c(cncc2)C)cc1)C1CC1
• Canonical SMILES: O=C(N1CCC(CC1)Oc1ccc(cc1)C(=O)NCc1ccncc1C)C1CC1
• InChI: InChI=1S/C23H27N3O3/c1-16-14-24-11-8-19(16)15-25-22(27)17-4-6-20(7-5-17)29-21-9-12-26(13-10-21)23(28)18-2-3-18/h4-8,11,14,18,21H,2-3,9-10,12-13,15H2,1H3,(H,25,27)
• InChIKey: ZSAPMWQVUNIVMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-N-[(3-methylpyridin-4-yl)methyl]benzamide
• IUPAC Traditional name: 4-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-N-[(3-methylpyridin-4-yl)methyl]benzamide
• Synonyms: 4-{[1-(cyclopropylcarbonyl)-4-piperidinyl]oxy}-N-[(3-methyl-4-pyridinyl)methyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.010056
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.6678722
• LogD (pH = 7.4): 1.9382491
• Log P: 1.9436097
• Molar Refractivity: 111.1147 cm^3
• Polarizability: 42.462826 Å^3
• Polar Surface Area: 71.53 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.99
• LOG S: -4.84
• Polar Surface Area: 71.53 Å^2
• Rotatable Bonds: 6