2-[(1-cyclopentylpiperidin-4-yl)oxy]-5-methoxy-N-[2-(pyridin-3-yloxy)ethyl]benzamide

• ChemBase ID: 622173
• Molecular Formular: C25H33N3O4
• Molecular Mass: 439.54722
• Monoisotopic Mass: 439.24710655
• SMILES: c1(c(OC2CCN(CC2)C2CCCC2)ccc(c1)OC)C(=O)NCCOc1cnccc1
• Canonical SMILES: COc1ccc(c(c1)C(=O)NCCOc1cccnc1)OC1CCN(CC1)C1CCCC1
• InChI: InChI=1S/C25H33N3O4/c1-30-21-8-9-24(32-20-10-14-28(15-11-20)19-5-2-3-6-19)23(17-21)25(29)27-13-16-31-22-7-4-12-26-18-22/h4,7-9,12,17-20H,2-3,5-6,10-11,13-16H2,1H3,(H,27,29)
• InChIKey: PHGLDNZUTQTSOI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(1-cyclopentylpiperidin-4-yl)oxy]-5-methoxy-N-[2-(pyridin-3-yloxy)ethyl]benzamide
• IUPAC Traditional name: 2-[(1-cyclopentylpiperidin-4-yl)oxy]-5-methoxy-N-[2-(pyridin-3-yloxy)ethyl]benzamide
• Synonyms: 2-[(1-cyclopentyl-4-piperidinyl)oxy]-5-methoxy-N-[2-(3-pyridinyloxy)ethyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.696589
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -0.9021481
• LogD (pH = 7.4): 0.48645526
• Log P: 2.5401049
• Molar Refractivity: 123.2191 cm^3
• Polarizability: 47.89978 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: 3.29
• LOG S: -4.81
• Polar Surface Area: 72.92 Å^2
• Rotatable Bonds: 8