3-(1-methylpiperidin-2-yl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide

• ChemBase ID: 818094
• Molecular Formular: C19H26N4O2
• Molecular Mass: 342.43534
• Monoisotopic Mass: 342.20557609
• SMILES: n1c(noc1CCNC(=O)CCC1N(C)CCCC1)c1ccccc1
• Canonical SMILES: O=C(CCC1CCCCN1C)NCCc1onc(n1)c1ccccc1
• InChI: InChI=1S/C19H26N4O2/c1-23-14-6-5-9-16(23)10-11-17(24)20-13-12-18-21-19(22-25-18)15-7-3-2-4-8-15/h2-4,7-8,16H,5-6,9-14H2,1H3,(H,20,24)
• InChIKey: KKWMAADREHDFLY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(1-methylpiperidin-2-yl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
• IUPAC Traditional name: 3-(1-methylpiperidin-2-yl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
• Synonyms: 3-(1-methyl-2-piperidinyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.7641908
• LogD (pH = 7.4): 0.61168
• Log P: 2.7270796
• Molar Refractivity: 108.7244 cm^3
• Polarizability: 37.975826 Å^3
• Polar Surface Area: 71.26 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• Acid pKa: 15.624232

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.68
• LOG S: -3.99
• Polar Surface Area: 71.26 Å^2
• Rotatable Bonds: 7