4-methoxy-N-{4-[4-(3-methoxypiperidin-1-yl)piperidin-1-yl]phenyl}benzamide

• ChemBase ID: 628511
• Molecular Formular: C25H33N3O3
• Molecular Mass: 423.54782
• Monoisotopic Mass: 423.25219193
• SMILES: N1(C2CCN(c3ccc(NC(=O)c4ccc(cc4)OC)cc3)CC2)CC(OC)CCC1
• Canonical SMILES: COC1CCCN(C1)C1CCN(CC1)c1ccc(cc1)NC(=O)c1ccc(cc1)OC
• InChI: InChI=1S/C25H33N3O3/c1-30-23-11-5-19(6-12-23)25(29)26-20-7-9-21(10-8-20)27-16-13-22(14-17-27)28-15-3-4-24(18-28)31-2/h5-12,22,24H,3-4,13-18H2,1-2H3,(H,26,29)
• InChIKey: BWXUULHKHGRESJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxy-N-{4-[4-(3-methoxypiperidin-1-yl)piperidin-1-yl]phenyl}benzamide
• IUPAC Traditional name: 4-methoxy-N-{4-[4-(3-methoxypiperidin-1-yl)piperidin-1-yl]phenyl}benzamide
• Synonyms: 4-methoxy-N-[4-(3-methoxy-1,4'-bipiperidin-1'-yl)phenyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.348291
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.071480334
• LogD (pH = 7.4): 1.354342
• Log P: 3.4608984
• Molar Refractivity: 126.1891 cm^3
• Polarizability: 47.610363 Å^3
• Polar Surface Area: 54.04 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: 3.46
• LOG S: -4.79
• Polar Surface Area: 54.04 Å^2
• Rotatable Bonds: 4