N-{1-[(3-methoxyphenyl)methyl]piperidin-3-yl}-2-(morpholin-4-yl)benzamide

• ChemBase ID: 345644
• Molecular Formular: C24H31N3O3
• Molecular Mass: 409.52124
• Monoisotopic Mass: 409.23654187
• SMILES: c1(C(=O)NC2CN(Cc3cc(OC)ccc3)CCC2)c(N2CCOCC2)cccc1
• Canonical SMILES: COc1cccc(c1)CN1CCCC(C1)NC(=O)c1ccccc1N1CCOCC1
• InChI: InChI=1S/C24H31N3O3/c1-29-21-8-4-6-19(16-21)17-26-11-5-7-20(18-26)25-24(28)22-9-2-3-10-23(22)27-12-14-30-15-13-27/h2-4,6,8-10,16,20H,5,7,11-15,17-18H2,1H3,(H,25,28)
• InChIKey: LIXFCVCZBYRJGK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{1-[(3-methoxyphenyl)methyl]piperidin-3-yl}-2-(morpholin-4-yl)benzamide
• IUPAC Traditional name: N-{1-[(3-methoxyphenyl)methyl]piperidin-3-yl}-2-(morpholin-4-yl)benzamide
• Synonyms: N-[1-(3-methoxybenzyl)-3-piperidinyl]-2-(4-morpholinyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.38531
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.86944765
• LogD (pH = 7.4): 2.554921
• Log P: 2.9881165
• Molar Refractivity: 119.8423 cm^3
• Polarizability: 45.5851 Å^3
• Polar Surface Area: 54.04 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.51
• LOG S: -3.9
• Polar Surface Area: 54.04 Å^2
• Rotatable Bonds: 5