N,N-bis(prop-2-en-1-yl)-2-{[1-(pyridine-3-carbonyl)piperidin-4-yl]oxy}benzamide

• ChemBase ID: 780681
• Molecular Formular: C24H27N3O3
• Molecular Mass: 405.48948
• Monoisotopic Mass: 405.20524174
• SMILES: c1(C(=O)N(CC=C)CC=C)c(OC2CCN(C(=O)c3cnccc3)CC2)cccc1
• Canonical SMILES: C=CCN(C(=O)c1ccccc1OC1CCN(CC1)C(=O)c1cccnc1)CC=C
• InChI: InChI=1S/C24H27N3O3/c1-3-14-26(15-4-2)24(29)21-9-5-6-10-22(21)30-20-11-16-27(17-12-20)23(28)19-8-7-13-25-18-19/h3-10,13,18,20H,1-2,11-12,14-17H2
• InChIKey: QUDJCQNIQMSEJR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.4613235
• LogD (pH = 7.4): 2.4662063
• Log P: 2.466269
• Molar Refractivity: 117.9543 cm^3
• Polarizability: 44.412045 Å^3
• Polar Surface Area: 62.74 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.75
• LOG S: -4.14
• Polar Surface Area: 62.74 Å^2
• Rotatable Bonds: 8