N-ethyl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)-N-(pyridin-4-ylmethyl)piperidin-3-amine

• ChemBase ID: 777116
• Molecular Formular: C21H25N5O
• Molecular Mass: 363.4561
• Monoisotopic Mass: 363.20591045
• SMILES: n1c(noc1c1ccccc1)N1CC(N(Cc2ccncc2)CC)CCC1
• Canonical SMILES: CCN(C1CCCN(C1)c1noc(n1)c1ccccc1)Cc1ccncc1
• InChI: InChI=1S/C21H25N5O/c1-2-25(15-17-10-12-22-13-11-17)19-9-6-14-26(16-19)21-23-20(27-24-21)18-7-4-3-5-8-18/h3-5,7-8,10-13,19H,2,6,9,14-16H2,1H3
• InChIKey: KMVKJOZLCATPPK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)-N-(pyridin-4-ylmethyl)piperidin-3-amine
• IUPAC Traditional name: N-ethyl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)-N-(pyridin-4-ylmethyl)piperidin-3-amine
• Synonyms: N-ethyl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)-N-(4-pyridinylmethyl)-3-piperidinamine

CALCULATED PROPERTIES

JChem

• H Donor: 0
• LogD (pH = 5.5): 0.7351693
• LogD (pH = 7.4): 2.4188702
• Log P: 3.8106894
• Molar Refractivity: 118.5849 cm^3
• Polarizability: 41.075283 Å^3
• Polar Surface Area: 58.29 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• H Acceptors: 5

供应商提供(Chembridge)

• H Donor: 0
• Log P: 2.73
• LOG S: -1.87
• Polar Surface Area: 58.29 Å^2
• Rotatable Bonds: 6
• H Acceptors: 5