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

• ChemBase ID: 439544
• Molecular Formular: C24H29N3O3
• Molecular Mass: 407.50536
• Monoisotopic Mass: 407.2208918
• SMILES: C(=O)(c1c(OC2CCN(C(=O)c3cnccc3)CC2)cccc1)NC1CCCCC1
• Canonical SMILES: O=C(c1ccccc1OC1CCN(CC1)C(=O)c1cccnc1)NC1CCCCC1
• InChI: InChI=1S/C24H29N3O3/c28-23(26-19-8-2-1-3-9-19)21-10-4-5-11-22(21)30-20-12-15-27(16-13-20)24(29)18-7-6-14-25-17-18/h4-7,10-11,14,17,19-20H,1-3,8-9,12-13,15-16H2,(H,26,28)
• InChIKey: YPYXTGDIZIGIKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.241747
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.5744183
• LogD (pH = 7.4): 2.579301
• Log P: 2.5793638
• Molar Refractivity: 115.7464 cm^3
• Polarizability: 44.17036 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: 2.4
• LOG S: -5.69
• Polar Surface Area: 71.53 Å^2
• Rotatable Bonds: 5