N-(3-chloro-2-propoxyphenyl)-4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide

• ChemBase ID: 863055
• Molecular Formular: C18H23ClN4O3
• Molecular Mass: 378.85322
• Monoisotopic Mass: 378.1458683
• SMILES: n1c(noc1C)C1CCN(C(=O)Nc2c(c(Cl)ccc2)OCCC)CC1
• Canonical SMILES: CCCOc1c(cccc1Cl)NC(=O)N1CCC(CC1)c1noc(n1)C
• InChI: InChI=1S/C18H23ClN4O3/c1-3-11-25-16-14(19)5-4-6-15(16)21-18(24)23-9-7-13(8-10-23)17-20-12(2)26-22-17/h4-6,13H,3,7-11H2,1-2H3,(H,21,24)
• InChIKey: FENYJXMDBOLGHP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-chloro-2-propoxyphenyl)-4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide
• IUPAC Traditional name: N-(3-chloro-2-propoxyphenyl)-4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide
• Synonyms: N-(3-chloro-2-propoxyphenyl)-4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.719631
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.4735763
• LogD (pH = 7.4): 3.4735565
• Log P: 3.4735765
• Molar Refractivity: 101.4091 cm^3
• Polarizability: 37.617447 Å^3
• Polar Surface Area: 80.49 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.88
• LOG S: -4.42
• Polar Surface Area: 80.49 Å^2
• Rotatable Bonds: 5