2-(furan-2-yl)-N-({1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl}methyl)-N-methyl-2-oxoacetamide

• ChemBase ID: 334532
• Molecular Formular: C22H28N2O4
• Molecular Mass: 384.46872
• Monoisotopic Mass: 384.20490739
• SMILES: C(=O)(C(=O)N(CC1CN(CCc2c(OC)cccc2)CCC1)C)c1occc1
• Canonical SMILES: COc1ccccc1CCN1CCCC(C1)CN(C(=O)C(=O)c1ccco1)C
• InChI: InChI=1S/C22H28N2O4/c1-23(22(26)21(25)20-10-6-14-28-20)15-17-7-5-12-24(16-17)13-11-18-8-3-4-9-19(18)27-2/h3-4,6,8-10,14,17H,5,7,11-13,15-16H2,1-2H3
• InChIKey: FYNRYLDWKNXUDE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(furan-2-yl)-N-({1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl}methyl)-N-methyl-2-oxoacetamide
• IUPAC Traditional name: 2-(furan-2-yl)-N-({1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl}methyl)-N-methyl-2-oxoacetamide
• Synonyms: 2-(2-furyl)-N-({1-[2-(2-methoxyphenyl)ethyl]-3-piperidinyl}methyl)-N-methyl-2-oxoacetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.12298046
• LogD (pH = 7.4): 1.6497927
• Log P: 2.5755703
• Molar Refractivity: 108.2633 cm^3
• Polarizability: 41.55225 Å^3
• Polar Surface Area: 62.99 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.84
• LOG S: -2.42
• Polar Surface Area: 62.99 Å^2
• Rotatable Bonds: 7