N-{3-[3-(3,4-dimethoxybenzoyl)piperidin-1-yl]-3-oxopropyl}acetamide

• ChemBase ID: 367106
• Molecular Formular: C19H26N2O5
• Molecular Mass: 362.42014
• Monoisotopic Mass: 362.18417194
• SMILES: N1(C(=O)CCNC(=O)C)CC(C(=O)c2cc(c(cc2)OC)OC)CCC1
• Canonical SMILES: COc1cc(ccc1OC)C(=O)C1CCCN(C1)C(=O)CCNC(=O)C
• InChI: InChI=1S/C19H26N2O5/c1-13(22)20-9-8-18(23)21-10-4-5-15(12-21)19(24)14-6-7-16(25-2)17(11-14)26-3/h6-7,11,15H,4-5,8-10,12H2,1-3H3,(H,20,22)
• InChIKey: DNPVIJQHGWXYIV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{3-[3-(3,4-dimethoxybenzoyl)piperidin-1-yl]-3-oxopropyl}acetamide
• IUPAC Traditional name: N-{3-[3-(3,4-dimethoxybenzoyl)piperidin-1-yl]-3-oxopropyl}acetamide
• Synonyms: N-{3-[3-(3,4-dimethoxybenzoyl)-1-piperidinyl]-3-oxopropyl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.322696
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.21670783
• LogD (pH = 7.4): 0.21670792
• Log P: 0.21670793
• Molar Refractivity: 96.7336 cm^3
• Polarizability: 37.4069 Å^3
• Polar Surface Area: 84.94 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.08
• LOG S: -1.46
• Polar Surface Area: 84.94 Å^2
• Rotatable Bonds: 5