1-(3,5-dichloro-4-methylbenzoyl)-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine

• ChemBase ID: 636354
• Molecular Formular: C17H19Cl2N3O2
• Molecular Mass: 368.25766
• Monoisotopic Mass: 367.08543222
• SMILES: n1c(onc1C)CC1CCN(C(=O)c2cc(c(c(c2)Cl)C)Cl)CC1
• Canonical SMILES: Cc1noc(n1)CC1CCN(CC1)C(=O)c1cc(Cl)c(c(c1)Cl)C
• InChI: InChI=1S/C17H19Cl2N3O2/c1-10-14(18)8-13(9-15(10)19)17(23)22-5-3-12(4-6-22)7-16-20-11(2)21-24-16/h8-9,12H,3-7H2,1-2H3
• InChIKey: PTVCLLVLBUVMLV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3,5-dichloro-4-methylbenzoyl)-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine
• IUPAC Traditional name: 1-(3,5-dichloro-4-methylbenzoyl)-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine
• Synonyms: 1-(3,5-dichloro-4-methylbenzoyl)-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.8002224
• LogD (pH = 7.4): 3.800223
• Log P: 3.800223
• Molar Refractivity: 95.6331 cm^3
• Polarizability: 35.478355 Å^3
• Polar Surface Area: 59.23 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: 2.82
• LOG S: -4.29
• Polar Surface Area: 59.23 Å^2
• Rotatable Bonds: 3