3-{4-[4-(azetidine-1-carbonyl)phenoxy]piperidine-1-carbonyl}pyridine

• ChemBase ID: 673289
• Molecular Formular: C21H23N3O3
• Molecular Mass: 365.42562
• Monoisotopic Mass: 365.17394161
• SMILES: C(=O)(N1CCC(CC1)Oc1ccc(C(=O)N2CCC2)cc1)c1cnccc1
• Canonical SMILES: O=C(c1ccc(cc1)OC1CCN(CC1)C(=O)c1cccnc1)N1CCC1
• InChI: InChI=1S/C21H23N3O3/c25-20(23-11-2-12-23)16-4-6-18(7-5-16)27-19-8-13-24(14-9-19)21(26)17-3-1-10-22-15-17/h1,3-7,10,15,19H,2,8-9,11-14H2
• InChIKey: WASPWZRSJKOBOU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{4-[4-(azetidine-1-carbonyl)phenoxy]piperidine-1-carbonyl}pyridine
• IUPAC Traditional name: 3-{4-[4-(azetidine-1-carbonyl)phenoxy]piperidine-1-carbonyl}pyridine
• Synonyms: 3-({4-[4-(azetidin-1-ylcarbonyl)phenoxy]piperidin-1-yl}carbonyl)pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.8872585
• LogD (pH = 7.4): 0.8921416
• Log P: 0.8922042
• Molar Refractivity: 102.5253 cm^3
• Polarizability: 38.65124 Å^3
• Polar Surface Area: 62.74 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: 0.16
• LOG S: -3.31
• Polar Surface Area: 62.74 Å^2
• Rotatable Bonds: 4