N-[(3-methoxyphenyl)methyl]-3-[1-(3-methoxypropanoyl)piperidin-3-yl]propanamide

• ChemBase ID: 486073
• Molecular Formular: C20H30N2O4
• Molecular Mass: 362.4632
• Monoisotopic Mass: 362.22055745
• SMILES: N1(C(=O)CCOC)CC(CCC(=O)NCc2cc(OC)ccc2)CCC1
• Canonical SMILES: COCCC(=O)N1CCCC(C1)CCC(=O)NCc1cccc(c1)OC
• InChI: InChI=1S/C20H30N2O4/c1-25-12-10-20(24)22-11-4-6-16(15-22)8-9-19(23)21-14-17-5-3-7-18(13-17)26-2/h3,5,7,13,16H,4,6,8-12,14-15H2,1-2H3,(H,21,23)
• InChIKey: SEIATTFDRUHQSV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3-methoxyphenyl)methyl]-3-[1-(3-methoxypropanoyl)piperidin-3-yl]propanamide
• IUPAC Traditional name: N-[(3-methoxyphenyl)methyl]-3-[1-(3-methoxypropanoyl)piperidin-3-yl]propanamide
• Synonyms: N-(3-methoxybenzyl)-3-[1-(3-methoxypropanoyl)-3-piperidinyl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.4985285
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.2477247
• LogD (pH = 7.4): 1.2477248
• Log P: 1.2477248
• Molar Refractivity: 100.6878 cm^3
• Polarizability: 39.17315 Å^3
• Polar Surface Area: 67.87 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.2
• LOG S: -2.94
• Polar Surface Area: 67.87 Å^2
• Rotatable Bonds: 7