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

• ChemBase ID: 690123
• Molecular Formular: C22H25N3O3
• Molecular Mass: 379.4522
• Monoisotopic Mass: 379.18959168
• SMILES: C(=O)(N1CCC(CC1)Oc1ccc(C(=O)NC2CCC2)cc1)c1cnccc1
• Canonical SMILES: O=C(c1ccc(cc1)OC1CCN(CC1)C(=O)c1cccnc1)NC1CCC1
• InChI: InChI=1S/C22H25N3O3/c26-21(24-18-4-1-5-18)16-6-8-19(9-7-16)28-20-10-13-25(14-11-20)22(27)17-3-2-12-23-15-17/h2-3,6-9,12,15,18,20H,1,4-5,10-11,13-14H2,(H,24,26)
• InChIKey: HYLIFOKXGHFPAM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.156946
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.6852807
• LogD (pH = 7.4): 1.6901639
• Log P: 1.6902266
• Molar Refractivity: 106.5444 cm^3
• Polarizability: 40.489525 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: 1.28
• LOG S: -3.06
• Polar Surface Area: 71.53 Å^2
• Rotatable Bonds: 5