4-[(3-{2-[1-(furan-2-carbonyl)piperidin-2-yl]ethoxy}-4-methoxyphenyl)methyl]morpholine

• ChemBase ID: 438853
• Molecular Formular: C24H32N2O5
• Molecular Mass: 428.52128
• Monoisotopic Mass: 428.23112213
• SMILES: C(=O)(N1C(CCOc2c(ccc(c2)CN2CCOCC2)OC)CCCC1)c1occc1
• Canonical SMILES: COc1ccc(cc1OCCC1CCCCN1C(=O)c1ccco1)CN1CCOCC1
• InChI: InChI=1S/C24H32N2O5/c1-28-21-8-7-19(18-25-11-15-29-16-12-25)17-23(21)31-14-9-20-5-2-3-10-26(20)24(27)22-6-4-13-30-22/h4,6-8,13,17,20H,2-3,5,9-12,14-16,18H2,1H3
• InChIKey: PTDBKFONIFTHTJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(3-{2-[1-(furan-2-carbonyl)piperidin-2-yl]ethoxy}-4-methoxyphenyl)methyl]morpholine
• IUPAC Traditional name: 4-[(3-{2-[1-(furan-2-carbonyl)piperidin-2-yl]ethoxy}-4-methoxyphenyl)methyl]morpholine
• Synonyms: 4-(3-{2-[1-(2-furoyl)-2-piperidinyl]ethoxy}-4-methoxybenzyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.7134198
• LogD (pH = 7.4): 2.482898
• Log P: 2.5108526
• Molar Refractivity: 118.6309 cm^3
• Polarizability: 45.695183 Å^3
• Polar Surface Area: 64.38 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 2.86
• LOG S: -2.62
• Polar Surface Area: 64.38 Å^2
• Rotatable Bonds: 7