3-{5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl}-N-(1-propylpiperidin-4-yl)propanamide

• ChemBase ID: 536776
• Molecular Formular: C22H32N4O3
• Molecular Mass: 400.51448
• Monoisotopic Mass: 400.2474409
• SMILES: n1nc(oc1CCc1ccc(cc1)OC)CCC(=O)NC1CCN(CC1)CCC
• Canonical SMILES: CCCN1CCC(CC1)NC(=O)CCc1nnc(o1)CCc1ccc(cc1)OC
• InChI: InChI=1S/C22H32N4O3/c1-3-14-26-15-12-18(13-16-26)23-20(27)9-11-22-25-24-21(29-22)10-6-17-4-7-19(28-2)8-5-17/h4-5,7-8,18H,3,6,9-16H2,1-2H3,(H,23,27)
• InChIKey: QKVOYZHGYXKVCU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl}-N-(1-propylpiperidin-4-yl)propanamide
• IUPAC Traditional name: 3-{5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl}-N-(1-propylpiperidin-4-yl)propanamide
• Synonyms: 3-{5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl}-N-(1-propyl-4-piperidinyl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.197095
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.7961055
• LogD (pH = 7.4): -0.27433854
• Log P: 1.4697849
• Molar Refractivity: 113.987 cm^3
• Polarizability: 43.34532 Å^3
• Polar Surface Area: 80.49 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 0.34
• LOG S: -3.9
• Polar Surface Area: 80.49 Å^2
• Rotatable Bonds: 7