N-(3-methoxyphenyl)-3-{1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl}propanamide

• ChemBase ID: 393279
• Molecular Formular: C24H30N2O4
• Molecular Mass: 410.506
• Monoisotopic Mass: 410.22055745
• SMILES: N1(C(=O)Cc2cc(OC)ccc2)CCC(CC1)CCC(=O)Nc1cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)CC(=O)N1CCC(CC1)CCC(=O)Nc1cccc(c1)OC
• InChI: InChI=1S/C24H30N2O4/c1-29-21-7-3-5-19(15-21)16-24(28)26-13-11-18(12-14-26)9-10-23(27)25-20-6-4-8-22(17-20)30-2/h3-8,15,17-18H,9-14,16H2,1-2H3,(H,25,27)
• InChIKey: IHOHZADYJRHFAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-methoxyphenyl)-3-{1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl}propanamide
• IUPAC Traditional name: N-(3-methoxyphenyl)-3-{1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl}propanamide
• Synonyms: N-(3-methoxyphenyl)-3-{1-[(3-methoxyphenyl)acetyl]-4-piperidinyl}propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.785154
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.0766437
• LogD (pH = 7.4): 3.0766437
• Log P: 3.0766437
• Molar Refractivity: 117.7429 cm^3
• Polarizability: 45.047695 Å^3
• Polar Surface Area: 67.87 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 4.7
• LOG S: -4.91
• Polar Surface Area: 67.87 Å^2
• Rotatable Bonds: 6