4-(1-{[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}piperidine-4-carbonyl)morpholine

• ChemBase ID: 567291
• Molecular Formular: C26H30N4O3
• Molecular Mass: 446.5414
• Monoisotopic Mass: 446.23179084
• SMILES: c1(nc(on1)CN1CCC(C(=O)N2CCOCC2)CC1)C(c1ccccc1)c1ccccc1
• Canonical SMILES: O=C(N1CCOCC1)C1CCN(CC1)Cc1onc(n1)C(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C26H30N4O3/c31-26(30-15-17-32-18-16-30)22-11-13-29(14-12-22)19-23-27-25(28-33-23)24(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-10,22,24H,11-19H2
• InChIKey: PKNNWCIUMBEELY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(1-{[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}piperidine-4-carbonyl)morpholine
• IUPAC Traditional name: 4-(1-{[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}piperidine-4-carbonyl)morpholine
• Synonyms: 4-[(1-{[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-4-piperidinyl)carbonyl]morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.0711772
• LogD (pH = 7.4): 3.2598293
• Log P: 3.3486001
• Molar Refractivity: 127.6316 cm^3
• Polarizability: 48.602234 Å^3
• Polar Surface Area: 71.7 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: 1.66
• LOG S: -2.82
• Polar Surface Area: 71.7 Å^2
• Rotatable Bonds: 6