4-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-N-[(3-methylphenyl)methyl]benzamide

• ChemBase ID: 832159
• Molecular Formular: C24H28N2O3
• Molecular Mass: 392.49072
• Monoisotopic Mass: 392.20999277
• SMILES: C(=O)(N1CCC(CC1)Oc1ccc(C(=O)NCc2cc(ccc2)C)cc1)C1CC1
• Canonical SMILES: Cc1cccc(c1)CNC(=O)c1ccc(cc1)OC1CCN(CC1)C(=O)C1CC1
• InChI: InChI=1S/C24H28N2O3/c1-17-3-2-4-18(15-17)16-25-23(27)19-7-9-21(10-8-19)29-22-11-13-26(14-12-22)24(28)20-5-6-20/h2-4,7-10,15,20,22H,5-6,11-14,16H2,1H3,(H,25,27)
• InChIKey: UZHVUFWYXBXPQR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-N-[(3-methylphenyl)methyl]benzamide
• IUPAC Traditional name: 4-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-N-[(3-methylphenyl)methyl]benzamide
• Synonyms: 4-{[1-(cyclopropylcarbonyl)-4-piperidinyl]oxy}-N-(3-methylbenzyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.041568
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.1612816
• LogD (pH = 7.4): 3.161282
• Log P: 3.161282
• Molar Refractivity: 113.2716 cm^3
• Polarizability: 43.356617 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.54
• LOG S: -5.87
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 6