N-ethyl-N-({1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl}methyl)-1,2,5-oxadiazole-3-carboxamide

• ChemBase ID: 467538
• Molecular Formular: C20H28N4O3
• Molecular Mass: 372.46132
• Monoisotopic Mass: 372.21614078
• SMILES: c1(C(=O)N(CC2CN(CCc3cc(OC)ccc3)CCC2)CC)nonc1
• Canonical SMILES: CCN(C(=O)c1nonc1)CC1CCCN(C1)CCc1cccc(c1)OC
• InChI: InChI=1S/C20H28N4O3/c1-3-24(20(25)19-13-21-27-22-19)15-17-7-5-10-23(14-17)11-9-16-6-4-8-18(12-16)26-2/h4,6,8,12-13,17H,3,5,7,9-11,14-15H2,1-2H3
• InChIKey: SDOCYCUCIRXTMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-N-({1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl}methyl)-1,2,5-oxadiazole-3-carboxamide
• IUPAC Traditional name: N-ethyl-N-({1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl}methyl)-1,2,5-oxadiazole-3-carboxamide
• Synonyms: N-ethyl-N-({1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl}methyl)-1,2,5-oxadiazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -1.0601121
• LogD (pH = 7.4): 0.6355263
• Log P: 1.9871684
• Molar Refractivity: 105.6781 cm^3
• Polarizability: 39.553276 Å^3
• Polar Surface Area: 71.7 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: 2.83
• LOG S: -4.33
• Polar Surface Area: 71.7 Å^2
• Rotatable Bonds: 8