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

• ChemBase ID: 513554
• Molecular Formular: C25H33N3O3
• Molecular Mass: 423.54782
• Monoisotopic Mass: 423.25219193
• SMILES: c1(c(OC2CCN(CC2)C2CCCC2)ccc(c1)OC)C(=O)NCCc1ncccc1
• Canonical SMILES: COc1ccc(c(c1)C(=O)NCCc1ccccn1)OC1CCN(CC1)C1CCCC1
• InChI: InChI=1S/C25H33N3O3/c1-30-22-9-10-24(31-21-12-16-28(17-13-21)20-7-2-3-8-20)23(18-22)25(29)27-15-11-19-6-4-5-14-26-19/h4-6,9-10,14,18,20-21H,2-3,7-8,11-13,15-17H2,1H3,(H,27,29)
• InChIKey: DRKCSNPDEVPRGS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.723291
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.47796938
• LogD (pH = 7.4): 0.8856846
• Log P: 2.939013
• Molar Refractivity: 121.4567 cm^3
• Polarizability: 47.216557 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: 2.89
• LOG S: -5.45
• Polar Surface Area: 63.69 Å^2
• Rotatable Bonds: 7