2-(1-ethylpiperidin-4-yl)-1-{4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl}ethan-1-one

• ChemBase ID: 501428
• Molecular Formular: C18H30N4O2
• Molecular Mass: 334.4564
• Monoisotopic Mass: 334.23687622
• SMILES: n1c(onc1C)CC1CCN(C(=O)CC2CCN(CC2)CC)CC1
• Canonical SMILES: CCN1CCC(CC1)CC(=O)N1CCC(CC1)Cc1onc(n1)C
• InChI: InChI=1S/C18H30N4O2/c1-3-21-8-4-16(5-9-21)13-18(23)22-10-6-15(7-11-22)12-17-19-14(2)20-24-17/h15-16H,3-13H2,1-2H3
• InChIKey: OKBFSZANYSSJFG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1-ethylpiperidin-4-yl)-1-{4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl}ethan-1-one
• IUPAC Traditional name: 2-(1-ethylpiperidin-4-yl)-1-{4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl}ethanone
• Synonyms: 1-ethyl-4-(2-{4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-piperidinyl}-2-oxoethyl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.8848846
• LogD (pH = 7.4): -0.24793196
• Log P: 1.4078883
• Molar Refractivity: 95.3618 cm^3
• Polarizability: 36.036064 Å^3
• Polar Surface Area: 62.47 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.44
• LOG S: -2.87
• Polar Surface Area: 62.47 Å^2
• Rotatable Bonds: 5