N-(2-methoxyethyl)-3-(1-{[5-(methoxymethyl)furan-2-yl]methyl}piperidin-4-yl)propanamide

• ChemBase ID: 507566
• Molecular Formular: C18H30N2O4
• Molecular Mass: 338.4418
• Monoisotopic Mass: 338.22055745
• SMILES: c1(oc(cc1)COC)CN1CCC(CCC(=O)NCCOC)CC1
• Canonical SMILES: COCCNC(=O)CCC1CCN(CC1)Cc1ccc(o1)COC
• InChI: InChI=1S/C18H30N2O4/c1-22-12-9-19-18(21)6-3-15-7-10-20(11-8-15)13-16-4-5-17(24-16)14-23-2/h4-5,15H,3,6-14H2,1-2H3,(H,19,21)
• InChIKey: ZOVZOMNZFQIDAV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxyethyl)-3-(1-{[5-(methoxymethyl)furan-2-yl]methyl}piperidin-4-yl)propanamide
• IUPAC Traditional name: N-(2-methoxyethyl)-3-(1-{[5-(methoxymethyl)furan-2-yl]methyl}piperidin-4-yl)propanamide
• Synonyms: N-(2-methoxyethyl)-3-(1-{[5-(methoxymethyl)-2-furyl]methyl}-4-piperidinyl)propanamide

CALCULATED PROPERTIES

JChem

• Polarizability: 36.373962 Å^3
• Polar Surface Area: 63.94 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true
• Acid pKa: 15.509168
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.0369105
• LogD (pH = 7.4): -0.2874196
• Log P: 0.8467058
• Molar Refractivity: 93.7566 cm^3

供应商提供(Chembridge)

• Polar Surface Area: 63.94 Å^2
• Rotatable Bonds: 8
• H Acceptors: 5
• H Donor: 1
• Log P: 1.17
• LOG S: -2.24