N-cyclopropyl-4-methoxy-3-({1-[1-(3-methylpyridin-2-yl)propan-2-yl]piperidin-4-yl}oxy)benzamide

• ChemBase ID: 380290
• Molecular Formular: C25H33N3O3
• Molecular Mass: 423.54782
• Monoisotopic Mass: 423.25219193
• SMILES: C(=O)(NC1CC1)c1cc(OC2CCN(C(Cc3ncccc3C)C)CC2)c(cc1)OC
• Canonical SMILES: COc1ccc(cc1OC1CCN(CC1)C(Cc1ncccc1C)C)C(=O)NC1CC1
• InChI: InChI=1S/C25H33N3O3/c1-17-5-4-12-26-22(17)15-18(2)28-13-10-21(11-14-28)31-24-16-19(6-9-23(24)30-3)25(29)27-20-7-8-20/h4-6,9,12,16,18,20-21H,7-8,10-11,13-15H2,1-3H3,(H,27,29)
• InChIKey: GPWRSBWFDTYYSX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.807403
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.07497802
• LogD (pH = 7.4): 1.836628
• Log P: 2.979872
• Molar Refractivity: 121.7147 cm^3
• Polarizability: 47.063396 Å^3
• Polar Surface Area: 63.69 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.34
• LOG S: -4.62
• Polar Surface Area: 63.69 Å^2
• Rotatable Bonds: 7