N-{2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}-4-(piperidin-3-yl)benzamide

• ChemBase ID: 664471
• Molecular Formular: C17H22N4O3
• Molecular Mass: 330.38158
• Monoisotopic Mass: 330.16919058
• SMILES: c1(nonc1C)OCCNC(=O)c1ccc(cc1)C1CNCCC1
• Canonical SMILES: O=C(c1ccc(cc1)C1CCCNC1)NCCOc1nonc1C
• InChI: InChI=1S/C17H22N4O3/c1-12-17(21-24-20-12)23-10-9-19-16(22)14-6-4-13(5-7-14)15-3-2-8-18-11-15/h4-7,15,18H,2-3,8-11H2,1H3,(H,19,22)
• InChIKey: UEKZWDTZPMOQNM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}-4-(piperidin-3-yl)benzamide
• IUPAC Traditional name: N-{2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}-4-(piperidin-3-yl)benzamide
• Synonyms: N-{2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}-4-piperidin-3-ylbenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.106285
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -2.0290778
• LogD (pH = 7.4): -1.3177123
• Log P: 1.1893034
• Molar Refractivity: 91.2049 cm^3
• Polarizability: 33.95719 Å^3
• Polar Surface Area: 89.28 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: 1.58
• LOG S: -2.96
• Polar Surface Area: 89.28 Å^2
• Rotatable Bonds: 6