1-ethyl-4-[1-({3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl}methyl)piperidin-4-yl]piperazine

• ChemBase ID: 651644
• Molecular Formular: C26H39N5O
• Molecular Mass: 437.62076
• Monoisotopic Mass: 437.31546089
• SMILES: c1(nc(on1)CN1CCC(N2CCN(CC2)CC)CC1)C1(c2ccc(cc2)C)CCCC1
• Canonical SMILES: CCN1CCN(CC1)C1CCN(CC1)Cc1onc(n1)C1(CCCC1)c1ccc(cc1)C
• InChI: InChI=1S/C26H39N5O/c1-3-29-16-18-31(19-17-29)23-10-14-30(15-11-23)20-24-27-25(28-32-24)26(12-4-5-13-26)22-8-6-21(2)7-9-22/h6-9,23H,3-5,10-20H2,1-2H3
• InChIKey: FLFZASWZUPOVKV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.22416447
• LogD (pH = 7.4): 2.9635813
• Log P: 4.417836
• Molar Refractivity: 142.1508 cm^3
• Polarizability: 50.4154 Å^3
• Polar Surface Area: 48.64 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 2.76
• LOG S: -2.55
• Polar Surface Area: 48.64 Å^2
• Rotatable Bonds: 5