4-[5-methoxy-2-(pyrrolidine-1-carbonyl)phenoxy]-1-(oxolane-3-carbonyl)piperidine

• ChemBase ID: 752748
• Molecular Formular: C22H30N2O5
• Molecular Mass: 402.484
• Monoisotopic Mass: 402.21547207
• SMILES: c1(C(=O)N2CCCC2)c(cc(cc1)OC)OC1CCN(C(=O)C2COCC2)CC1
• Canonical SMILES: COc1ccc(c(c1)OC1CCN(CC1)C(=O)C1CCOC1)C(=O)N1CCCC1
• InChI: InChI=1S/C22H30N2O5/c1-27-18-4-5-19(22(26)23-9-2-3-10-23)20(14-18)29-17-6-11-24(12-7-17)21(25)16-8-13-28-15-16/h4-5,14,16-17H,2-3,6-13,15H2,1H3
• InChIKey: JWWZMXAFNCPLCL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[5-methoxy-2-(pyrrolidine-1-carbonyl)phenoxy]-1-(oxolane-3-carbonyl)piperidine
• IUPAC Traditional name: 4-[5-methoxy-2-(pyrrolidine-1-carbonyl)phenoxy]-1-(oxolane-3-carbonyl)piperidine
• Synonyms: 4-[5-methoxy-2-(1-pyrrolidinylcarbonyl)phenoxy]-1-(tetrahydro-3-furanylcarbonyl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.747738
• LogD (pH = 7.4): 0.74773824
• Log P: 0.74773824
• Molar Refractivity: 109.1152 cm^3
• Polarizability: 41.893753 Å^3
• Polar Surface Area: 68.31 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.58
• LOG S: -2.24
• Polar Surface Area: 68.31 Å^2
• Rotatable Bonds: 4