4-[2-(azetidine-1-carbonyl)-4-methoxyphenoxy]-1-cyclopropanecarbonylpiperidine

• ChemBase ID: 319977
• Molecular Formular: C20H26N2O4
• Molecular Mass: 358.43144
• Monoisotopic Mass: 358.18925732
• SMILES: c1(C(=O)N2CCC2)c(OC2CCN(C(=O)C3CC3)CC2)ccc(c1)OC
• Canonical SMILES: COc1ccc(c(c1)C(=O)N1CCC1)OC1CCN(CC1)C(=O)C1CC1
• InChI: InChI=1S/C20H26N2O4/c1-25-16-5-6-18(17(13-16)20(24)21-9-2-10-21)26-15-7-11-22(12-8-15)19(23)14-3-4-14/h5-6,13-15H,2-4,7-12H2,1H3
• InChIKey: CAAQPRGMANDMNL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(azetidine-1-carbonyl)-4-methoxyphenoxy]-1-cyclopropanecarbonylpiperidine
• IUPAC Traditional name: 4-[2-(azetidine-1-carbonyl)-4-methoxyphenoxy]-1-cyclopropanecarbonylpiperidine
• Synonyms: 4-[2-(azetidin-1-ylcarbonyl)-4-methoxyphenoxy]-1-(cyclopropylcarbonyl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.8778269
• LogD (pH = 7.4): 0.87782717
• Log P: 0.87782717
• Molar Refractivity: 97.8741 cm^3
• Polarizability: 37.50475 Å^3
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.35
• LOG S: -2.97
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 5