4-(1-{1-[(2E)-3-phenylprop-2-en-1-yl]piperidin-4-yl}piperidine-4-carbonyl)morpholine

• ChemBase ID: 474472
• Molecular Formular: C24H35N3O2
• Molecular Mass: 397.5536
• Monoisotopic Mass: 397.27292738
• SMILES: C(=O)(N1CCOCC1)C1CCN(C2CCN(CC2)C/C=C/c2ccccc2)CC1
• Canonical SMILES: O=C(N1CCOCC1)C1CCN(CC1)C1CCN(CC1)C/C=C/c1ccccc1
• InChI: InChI=1S/C24H35N3O2/c28-24(27-17-19-29-20-18-27)22-8-15-26(16-9-22)23-10-13-25(14-11-23)12-4-7-21-5-2-1-3-6-21/h1-7,22-23H,8-20H2/b7-4+
• InChIKey: QCRCKRKBQSEJMS-QPJJXVBHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(1-{1-[(2E)-3-phenylprop-2-en-1-yl]piperidin-4-yl}piperidine-4-carbonyl)morpholine
• IUPAC Traditional name: 4-(1-{1-[(2E)-3-phenylprop-2-en-1-yl]piperidin-4-yl}piperidine-4-carbonyl)morpholine
• Synonyms: 4-(4-morpholinylcarbonyl)-1'-[(2E)-3-phenyl-2-propen-1-yl]-1,4'-bipiperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.6514788
• LogD (pH = 7.4): -0.43253824
• Log P: 2.046384
• Molar Refractivity: 119.4424 cm^3
• Polarizability: 46.08735 Å^3
• Polar Surface Area: 36.02 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.25
• LOG S: -1.52
• Polar Surface Area: 36.02 Å^2
• Rotatable Bonds: 5