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

• ChemBase ID: 665268
• Molecular Formular: C29H34N4O2
• Molecular Mass: 470.60586
• Monoisotopic Mass: 470.26817635
• SMILES: N1(C(c2ncccc2)CCCC1)C1CCN(c2cc(NC(=O)c3c(OC)cccc3)ccc2)CC1
• Canonical SMILES: COc1ccccc1C(=O)Nc1cccc(c1)N1CCC(CC1)N1CCCCC1c1ccccn1
• InChI: InChI=1S/C29H34N4O2/c1-35-28-14-3-2-11-25(28)29(34)31-22-9-8-10-24(21-22)32-19-15-23(16-20-32)33-18-7-5-13-27(33)26-12-4-6-17-30-26/h2-4,6,8-12,14,17,21,23,27H,5,7,13,15-16,18-20H2,1H3,(H,31,34)
• InChIKey: ATKIUZPHGJYWON-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-N-(3-{4-[2-(pyridin-2-yl)piperidin-1-yl]piperidin-1-yl}phenyl)benzamide
• IUPAC Traditional name: 2-methoxy-N-(3-{4-[2-(pyridin-2-yl)piperidin-1-yl]piperidin-1-yl}phenyl)benzamide
• Synonyms: 2-methoxy-N-{3-[2-(2-pyridinyl)-1,4'-bipiperidin-1'-yl]phenyl}benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.98244
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.8165759
• LogD (pH = 7.4): 3.5689218
• Log P: 4.6929045
• Molar Refractivity: 141.7552 cm^3
• Polarizability: 53.78607 Å^3
• Polar Surface Area: 57.7 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: 4.17
• LOG S: -6.39
• Polar Surface Area: 57.7 Å^2
• Rotatable Bonds: 5