4-benzyl-1-{[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl}piperidine

• ChemBase ID: 584059
• Molecular Formular: C19H25N3O
• Molecular Mass: 311.4213
• Monoisotopic Mass: 311.19976244
• SMILES: n1c(onc1CC1CC1)CN1CCC(Cc2ccccc2)CC1
• Canonical SMILES: c1ccc(cc1)CC1CCN(CC1)Cc1onc(n1)CC1CC1
• InChI: InChI=1S/C19H25N3O/c1-2-4-15(5-3-1)12-17-8-10-22(11-9-17)14-19-20-18(21-23-19)13-16-6-7-16/h1-5,16-17H,6-14H2
• InChIKey: ICVQDMGLVVVQRK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-benzyl-1-{[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl}piperidine
• IUPAC Traditional name: 4-benzyl-1-{[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl}piperidine
• Synonyms: 4-benzyl-1-{[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl}piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.2813327
• LogD (pH = 7.4): 3.7764063
• Log P: 3.991339
• Molar Refractivity: 92.5291 cm^3
• Polarizability: 35.199173 Å^3
• Polar Surface Area: 42.16 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.7
• LOG S: -3.59
• Polar Surface Area: 42.16 Å^2
• Rotatable Bonds: 6