4-methoxy-N-(2-methoxyethyl)-2-{[1-(pyridin-3-ylmethyl)piperidin-4-yl]oxy}benzamide

• ChemBase ID: 346522
• Molecular Formular: C22H29N3O4
• Molecular Mass: 399.48336
• Monoisotopic Mass: 399.21580642
• SMILES: c1(c(cc(cc1)OC)OC1CCN(Cc2cnccc2)CC1)C(=O)NCCOC
• Canonical SMILES: COCCNC(=O)c1ccc(cc1OC1CCN(CC1)Cc1cccnc1)OC
• InChI: InChI=1S/C22H29N3O4/c1-27-13-10-24-22(26)20-6-5-19(28-2)14-21(20)29-18-7-11-25(12-8-18)16-17-4-3-9-23-15-17/h3-6,9,14-15,18H,7-8,10-13,16H2,1-2H3,(H,24,26)
• InChIKey: YWQTYQYWZPJTFH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.198495
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -1.0925174
• LogD (pH = 7.4): 0.6461229
• Log P: 1.218851
• Molar Refractivity: 111.9098 cm^3
• Polarizability: 43.11748 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: -3.17
• Polar Surface Area: 72.92 Å^2
• Rotatable Bonds: 7