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

• ChemBase ID: 363917
• Molecular Formular: C26H41N3O3
• Molecular Mass: 443.62204
• Monoisotopic Mass: 443.31479219
• SMILES: c1(C(=O)NC2CCN(CC2)CCC)c(OC2CCN(CC2)C2CCCC2)ccc(c1)OC
• Canonical SMILES: CCCN1CCC(CC1)NC(=O)c1cc(OC)ccc1OC1CCN(CC1)C1CCCC1
• InChI: InChI=1S/C26H41N3O3/c1-3-14-28-15-10-20(11-16-28)27-26(30)24-19-23(31-2)8-9-25(24)32-22-12-17-29(18-13-22)21-6-4-5-7-21/h8-9,19-22H,3-7,10-18H2,1-2H3,(H,27,30)
• InChIKey: JKEKIEYWSUJGBP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Polar Surface Area: 54.04 Å^2
• Rotatable Bonds: 5
• H Acceptors: 5
• H Donor: 1
• Log P: 3.41
• LOG S: -4.39

JChem

• Rotatable Bonds: 8
• Lipinski's Rule of Five: true
• Acid pKa: 13.834231
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -3.5919185
• LogD (pH = 7.4): -0.716992
• Log P: 3.019864
• Molar Refractivity: 129.5475 cm^3
• Polarizability: 50.370144 Å^3
• Polar Surface Area: 54.04 Å^2