1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-phenylpiperidine-4-carbonitrile

• ChemBase ID: 316751
• Molecular Formular: C17H18N4O
• Molecular Mass: 294.35102
• Monoisotopic Mass: 294.14806122
• SMILES: c1(oc(nn1)C1CC1)N1CCC(C#N)(CC1)c1ccccc1
• Canonical SMILES: N#CC1(CCN(CC1)c1nnc(o1)C1CC1)c1ccccc1
• InChI: InChI=1S/C17H18N4O/c18-12-17(14-4-2-1-3-5-14)8-10-21(11-9-17)16-20-19-15(22-16)13-6-7-13/h1-5,13H,6-11H2
• InChIKey: UVQREZPNQUCTRE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-phenylpiperidine-4-carbonitrile
• IUPAC Traditional name: 1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-phenylpiperidine-4-carbonitrile
• Synonyms: 1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-phenylpiperidine-4-carbonitrile

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.470718
• LogD (pH = 7.4): 2.4707181
• Log P: 2.4707181
• Molar Refractivity: 84.6826 cm^3
• Polarizability: 31.053732 Å^3
• Polar Surface Area: 65.95 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.93
• LOG S: -4.22
• Polar Surface Area: 65.95 Å^2
• Rotatable Bonds: 3