({1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl}methyl)(methyl)[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amine

• ChemBase ID: 528288
• Molecular Formular: C25H32N4O2
• Molecular Mass: 420.54718
• Monoisotopic Mass: 420.25252628
• SMILES: n1c(noc1CN(CC1CN(CCc2ccc(cc2)OC)CCC1)C)c1ccccc1
• Canonical SMILES: COc1ccc(cc1)CCN1CCCC(C1)CN(Cc1onc(n1)c1ccccc1)C
• InChI: InChI=1S/C25H32N4O2/c1-28(19-24-26-25(27-31-24)22-8-4-3-5-9-22)17-21-7-6-15-29(18-21)16-14-20-10-12-23(30-2)13-11-20/h3-5,8-13,21H,6-7,14-19H2,1-2H3
• InChIKey: HRPNAJSVRMQDHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ({1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl}methyl)(methyl)[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amine
• IUPAC Traditional name: ({1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl}methyl)(methyl)[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amine
• Synonyms: ({1-[2-(4-methoxyphenyl)ethyl]-3-piperidinyl}methyl)methyl[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.1584043
• LogD (pH = 7.4): 2.3886547
• Log P: 4.5591645
• Molar Refractivity: 135.956 cm^3
• Polarizability: 48.503338 Å^3
• Polar Surface Area: 54.63 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 4.12
• LOG S: -3.18
• Polar Surface Area: 54.63 Å^2
• Rotatable Bonds: 8