4-(azetidine-1-carbonyl)-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine

• ChemBase ID: 571871
• Molecular Formular: C23H35N3O
• Molecular Mass: 369.5435
• Monoisotopic Mass: 369.27801276
• SMILES: C(=O)(N1CCC1)C1CCN(C2CCN(CC2)CCCc2ccccc2)CC1
• Canonical SMILES: O=C(N1CCC1)C1CCN(CC1)C1CCN(CC1)CCCc1ccccc1
• InChI: InChI=1S/C23H35N3O/c27-23(26-14-5-15-26)21-9-18-25(19-10-21)22-11-16-24(17-12-22)13-4-8-20-6-2-1-3-7-20/h1-3,6-7,21-22H,4-5,8-19H2
• InChIKey: LXDBKCBFTZOBGN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(azetidine-1-carbonyl)-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine
• IUPAC Traditional name: 4-(azetidine-1-carbonyl)-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine
• Synonyms: 4-(azetidin-1-ylcarbonyl)-1'-(3-phenylpropyl)-1,4'-bipiperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -3.1890264
• LogD (pH = 7.4): -0.6380212
• Log P: 2.2766335
• Molar Refractivity: 112.3017 cm^3
• Polarizability: 43.654793 Å^3
• Polar Surface Area: 26.79 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.3
• LOG S: -4.71
• Polar Surface Area: 26.79 Å^2
• Rotatable Bonds: 6