4-methoxy-N-(2-methoxyethyl)-2-{[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxy}benzamide

• ChemBase ID: 376871
• Molecular Formular: C22H29N3O4
• Molecular Mass: 399.48336
• Monoisotopic Mass: 399.21580642
• SMILES: c1(c(cc(cc1)OC)OC1CCN(Cc2ccncc2)CC1)C(=O)NCCOC
• Canonical SMILES: COc1ccc(c(c1)OC1CCN(CC1)Cc1ccncc1)C(=O)NCCOC
• InChI: InChI=1S/C22H29N3O4/c1-27-14-11-24-22(26)20-4-3-19(28-2)15-21(20)29-18-7-12-25(13-8-18)16-17-5-9-23-10-6-17/h3-6,9-10,15,18H,7-8,11-14,16H2,1-2H3,(H,24,26)
• InChIKey: WGXWHUAJZGGYBQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxy-N-(2-methoxyethyl)-2-{[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxy}benzamide
• IUPAC Traditional name: 4-methoxy-N-(2-methoxyethyl)-2-{[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxy}benzamide
• Synonyms: 4-methoxy-N-(2-methoxyethyl)-2-{[1-(4-pyridinylmethyl)-4-piperidinyl]oxy}benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.198495
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -1.1829666
• LogD (pH = 7.4): 0.57360315
• Log P: 1.218851
• Molar Refractivity: 111.9098 cm^3
• Polarizability: 43.11723 Å^3
• Polar Surface Area: 72.92 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.43
• LOG S: -3.18
• Polar Surface Area: 72.92 Å^2
• Rotatable Bonds: 7