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

• ChemBase ID: 345313
• Molecular Formular: C19H26N4O2
• Molecular Mass: 342.43534
• Monoisotopic Mass: 342.20557609
• SMILES: n1c(noc1Cc1ccccc1)CNC(=O)CCC1CN(CCC1)C
• Canonical SMILES: CN1CCCC(C1)CCC(=O)NCc1noc(n1)Cc1ccccc1
• InChI: InChI=1S/C19H26N4O2/c1-23-11-5-8-16(14-23)9-10-18(24)20-13-17-21-19(25-22-17)12-15-6-3-2-4-7-15/h2-4,6-7,16H,5,8-14H2,1H3,(H,20,24)
• InChIKey: OVNFBPZIFOECFV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.14315
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.9189053
• LogD (pH = 7.4): 0.70006204
• Log P: 2.3965135
• Molar Refractivity: 98.09 cm^3
• Polarizability: 37.21259 Å^3
• Polar Surface Area: 71.26 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.65
• LOG S: -3.11
• Polar Surface Area: 71.26 Å^2
• Rotatable Bonds: 7