1-(1-cyclobutanecarbonylpiperidin-4-yl)-3-(pyrrolidine-1-carbonyl)piperidine

• ChemBase ID: 426853
• Molecular Formular: C20H33N3O2
• Molecular Mass: 347.49492
• Monoisotopic Mass: 347.25727731
• SMILES: C(=O)(C1CN(C2CCN(C(=O)C3CCC3)CC2)CCC1)N1CCCC1
• Canonical SMILES: O=C(C1CCC1)N1CCC(CC1)N1CCCC(C1)C(=O)N1CCCC1
• InChI: InChI=1S/C20H33N3O2/c24-19(16-5-3-6-16)22-13-8-18(9-14-22)23-12-4-7-17(15-23)20(25)21-10-1-2-11-21/h16-18H,1-15H2
• InChIKey: SEGXBNAYWSOJMF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-cyclobutanecarbonylpiperidin-4-yl)-3-(pyrrolidine-1-carbonyl)piperidine
• IUPAC Traditional name: 1-(1-cyclobutanecarbonylpiperidin-4-yl)-3-(pyrrolidine-1-carbonyl)piperidine
• Synonyms: 1'-(cyclobutylcarbonyl)-3-(pyrrolidin-1-ylcarbonyl)-1,4'-bipiperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.4386294
• LogD (pH = 7.4): -1.1443368
• Log P: 0.9434599
• Molar Refractivity: 99.0951 cm^3
• Polarizability: 38.595695 Å^3
• Polar Surface Area: 43.86 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.74
• LOG S: -3.22
• Polar Surface Area: 43.86 Å^2
• Rotatable Bonds: 3