3-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-N-[2-(3-methylpyridin-2-yl)ethyl]benzamide

• ChemBase ID: 505277
• Molecular Formular: C24H29N3O3
• Molecular Mass: 407.50536
• Monoisotopic Mass: 407.2208918
• SMILES: C(=O)(N1CCC(Oc2cc(C(=O)NCCc3ncccc3C)ccc2)CC1)C1CC1
• Canonical SMILES: O=C(c1cccc(c1)OC1CCN(CC1)C(=O)C1CC1)NCCc1ncccc1C
• InChI: InChI=1S/C24H29N3O3/c1-17-4-3-12-25-22(17)9-13-26-23(28)19-5-2-6-21(16-19)30-20-10-14-27(15-11-20)24(29)18-7-8-18/h2-6,12,16,18,20H,7-11,13-15H2,1H3,(H,26,28)
• InChIKey: PRSFMJAFFUQZDK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-N-[2-(3-methylpyridin-2-yl)ethyl]benzamide
• IUPAC Traditional name: 3-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-N-[2-(3-methylpyridin-2-yl)ethyl]benzamide
• Synonyms: 3-{[1-(cyclopropylcarbonyl)-4-piperidinyl]oxy}-N-[2-(3-methyl-2-pyridinyl)ethyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.596455
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.1309183
• LogD (pH = 7.4): 2.2601457
• Log P: 2.2620943
• Molar Refractivity: 115.2919 cm^3
• Polarizability: 44.305717 Å^3
• Polar Surface Area: 71.53 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.12
• LOG S: -5.59
• Polar Surface Area: 71.53 Å^2
• Rotatable Bonds: 7