3-[1-(1-cyclobutanecarbonylpiperidine-4-carbonyl)azetidin-3-yl]pyridine

• ChemBase ID: 339096
• Molecular Formular: C19H25N3O2
• Molecular Mass: 327.4207
• Monoisotopic Mass: 327.19467706
• SMILES: N1(C(=O)C2CCN(C(=O)C3CCC3)CC2)CC(C1)c1cnccc1
• Canonical SMILES: O=C(N1CC(C1)c1cccnc1)C1CCN(CC1)C(=O)C1CCC1
• InChI: InChI=1S/C19H25N3O2/c23-18(14-3-1-4-14)21-9-6-15(7-10-21)19(24)22-12-17(13-22)16-5-2-8-20-11-16/h2,5,8,11,14-15,17H,1,3-4,6-7,9-10,12-13H2
• InChIKey: SUDMSRQHEACFNX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[1-(1-cyclobutanecarbonylpiperidine-4-carbonyl)azetidin-3-yl]pyridine
• IUPAC Traditional name: 3-[1-(1-cyclobutanecarbonylpiperidine-4-carbonyl)azetidin-3-yl]pyridine
• Synonyms: 3-(1-{[1-(cyclobutylcarbonyl)-4-piperidinyl]carbonyl}-3-azetidinyl)pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.55421543
• LogD (pH = 7.4): 0.63763463
• Log P: 0.63883877
• Molar Refractivity: 91.5079 cm^3
• Polarizability: 35.44466 Å^3
• Polar Surface Area: 53.51 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: 0.7
• LOG S: -0.89
• Polar Surface Area: 53.51 Å^2
• Rotatable Bonds: 3