N-cyclobutyl-2-{[1-(pyridine-3-carbonyl)piperidin-4-yl]oxy}benzamide

• ChemBase ID: 657748
• Molecular Formular: C22H25N3O3
• Molecular Mass: 379.4522
• Monoisotopic Mass: 379.18959168
• SMILES: C(=O)(c1c(OC2CCN(C(=O)c3cnccc3)CC2)cccc1)NC1CCC1
• Canonical SMILES: O=C(c1cccnc1)N1CCC(CC1)Oc1ccccc1C(=O)NC1CCC1
• InChI: InChI=1S/C22H25N3O3/c26-21(24-17-6-3-7-17)19-8-1-2-9-20(19)28-18-10-13-25(14-11-18)22(27)16-5-4-12-23-15-16/h1-2,4-5,8-9,12,15,17-18H,3,6-7,10-11,13-14H2,(H,24,26)
• InChIKey: NJNXEEMWWMWNMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclobutyl-2-{[1-(pyridine-3-carbonyl)piperidin-4-yl]oxy}benzamide
• IUPAC Traditional name: N-cyclobutyl-2-{[1-(pyridine-3-carbonyl)piperidin-4-yl]oxy}benzamide
• Synonyms: N-cyclobutyl-2-{[1-(pyridin-3-ylcarbonyl)piperidin-4-yl]oxy}benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.241747
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.6852809
• LogD (pH = 7.4): 1.6901639
• Log P: 1.6902266
• Molar Refractivity: 106.5444 cm^3
• Polarizability: 40.492203 Å^3
• Polar Surface Area: 71.53 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.93
• LOG S: -2.76
• Polar Surface Area: 71.53 Å^2
• Rotatable Bonds: 5