1-{4-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]benzoyl}azocane

• ChemBase ID: 724160
• Molecular Formular: C23H32N2O3
• Molecular Mass: 384.51178
• Monoisotopic Mass: 384.24129289
• SMILES: C(=O)(N1CCC(CC1)Oc1ccc(C(=O)N2CCCCCCC2)cc1)C1CC1
• Canonical SMILES: O=C(N1CCC(CC1)Oc1ccc(cc1)C(=O)N1CCCCCCC1)C1CC1
• InChI: InChI=1S/C23H32N2O3/c26-22(24-14-4-2-1-3-5-15-24)19-8-10-20(11-9-19)28-21-12-16-25(17-13-21)23(27)18-6-7-18/h8-11,18,21H,1-7,12-17H2
• InChIKey: LFRZISRROAILLS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{4-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]benzoyl}azocane
• IUPAC Traditional name: 1-{4-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]benzoyl}azocane
• Synonyms: 1-(4-{[1-(cyclopropylcarbonyl)-4-piperidinyl]oxy}benzoyl)azocane

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.8865666
• LogD (pH = 7.4): 2.886567
• Log P: 2.886567
• Molar Refractivity: 109.8585 cm^3
• Polarizability: 42.32357 Å^3
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.15
• LOG S: -3.95
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 4