[(1-benzylpiperidin-4-yl)methyl](methyl){[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}amine

• ChemBase ID: 823893
• Molecular Formular: C24H30N4O2
• Molecular Mass: 406.5206
• Monoisotopic Mass: 406.23687622
• SMILES: n1c(onc1COc1ccccc1)CN(CC1CCN(Cc2ccccc2)CC1)C
• Canonical SMILES: CN(Cc1onc(n1)COc1ccccc1)CC1CCN(CC1)Cc1ccccc1
• InChI: InChI=1S/C24H30N4O2/c1-27(16-21-12-14-28(15-13-21)17-20-8-4-2-5-9-20)18-24-25-23(26-30-24)19-29-22-10-6-3-7-11-22/h2-11,21H,12-19H2,1H3
• InChIKey: VPNFAPNWUVUYAT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(1-benzylpiperidin-4-yl)methyl](methyl){[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}amine
• IUPAC Traditional name: [(1-benzylpiperidin-4-yl)methyl](methyl){[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}amine
• Synonyms: 1-(1-benzyl-4-piperidinyl)-N-methyl-N-{[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.9439225
• LogD (pH = 7.4): 2.0357032
• Log P: 4.080431
• Molar Refractivity: 120.012 cm^3
• Polarizability: 46.03957 Å^3
• Polar Surface Area: 54.63 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 3.48
• LOG S: -2.57
• Polar Surface Area: 54.63 Å^2
• Rotatable Bonds: 9