1-cyclopentyl-N-methyl-6-oxo-N-{2-[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl}piperidine-3-carboxamide

• ChemBase ID: 313825
• Molecular Formular: C19H30N4O3
• Molecular Mass: 362.4665
• Monoisotopic Mass: 362.23179084
• SMILES: n1c(onc1CCN(C(=O)C1CN(C(=O)CC1)C1CCCC1)C)C(C)C
• Canonical SMILES: O=C(C1CCC(=O)N(C1)C1CCCC1)N(CCc1noc(n1)C(C)C)C
• InChI: InChI=1S/C19H30N4O3/c1-13(2)18-20-16(21-26-18)10-11-22(3)19(25)14-8-9-17(24)23(12-14)15-6-4-5-7-15/h13-15H,4-12H2,1-3H3
• InChIKey: CJIAQIIYUYVWKA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopentyl-N-methyl-6-oxo-N-{2-[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl}piperidine-3-carboxamide
• IUPAC Traditional name: 1-cyclopentyl-N-[2-(5-isopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide
• Synonyms: 1-cyclopentyl-N-[2-(5-isopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-6-oxo-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.0589325
• LogD (pH = 7.4): 2.0589328
• Log P: 2.058933
• Molar Refractivity: 98.9512 cm^3
• Polarizability: 37.672153 Å^3
• Polar Surface Area: 79.54 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.1
• LOG S: -2.78
• Polar Surface Area: 79.54 Å^2
• Rotatable Bonds: 6