3-{1-[1-(furan-2-ylmethyl)piperidine-3-carbonyl]azetidin-3-yl}pyridine

• ChemBase ID: 656308
• Molecular Formular: C19H23N3O2
• Molecular Mass: 325.40482
• Monoisotopic Mass: 325.17902699
• SMILES: N1(C(=O)C2CN(Cc3occc3)CCC2)CC(C1)c1cnccc1
• Canonical SMILES: O=C(C1CCCN(C1)Cc1ccco1)N1CC(C1)c1cccnc1
• InChI: InChI=1S/C19H23N3O2/c23-19(22-12-17(13-22)15-4-1-7-20-10-15)16-5-2-8-21(11-16)14-18-6-3-9-24-18/h1,3-4,6-7,9-10,16-17H,2,5,8,11-14H2
• InChIKey: IOCJDPVAMHZPKF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{1-[1-(furan-2-ylmethyl)piperidine-3-carbonyl]azetidin-3-yl}pyridine
• IUPAC Traditional name: 3-{1-[1-(furan-2-ylmethyl)piperidine-3-carbonyl]azetidin-3-yl}pyridine
• Synonyms: 3-(1-{[1-(2-furylmethyl)-3-piperidinyl]carbonyl}-3-azetidinyl)pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.917822
• LogD (pH = 7.4): -0.1055523
• Log P: 1.1282067
• Molar Refractivity: 92.086 cm^3
• Polarizability: 35.57591 Å^3
• Polar Surface Area: 49.58 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.05
• LOG S: -1.17
• Polar Surface Area: 49.58 Å^2
• Rotatable Bonds: 4