N-(3-acetamidophenyl)-2-(morpholin-4-ylmethyl)piperidine-1-carboxamide

• ChemBase ID: 825618
• Molecular Formular: C19H28N4O3
• Molecular Mass: 360.45062
• Monoisotopic Mass: 360.21614078
• SMILES: C(=O)(N1C(CN2CCOCC2)CCCC1)Nc1cc(NC(=O)C)ccc1
• Canonical SMILES: CC(=O)Nc1cccc(c1)NC(=O)N1CCCCC1CN1CCOCC1
• InChI: InChI=1S/C19H28N4O3/c1-15(24)20-16-5-4-6-17(13-16)21-19(25)23-8-3-2-7-18(23)14-22-9-11-26-12-10-22/h4-6,13,18H,2-3,7-12,14H2,1H3,(H,20,24)(H,21,25)
• InChIKey: KURHWTFAYCRSNB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-acetamidophenyl)-2-(morpholin-4-ylmethyl)piperidine-1-carboxamide
• IUPAC Traditional name: N-(3-acetamidophenyl)-2-(morpholin-4-ylmethyl)piperidine-1-carboxamide
• Synonyms: N-[3-(acetylamino)phenyl]-2-(morpholin-4-ylmethyl)piperidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.065618
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.035028394
• LogD (pH = 7.4): 1.1777163
• Log P: 1.2727504
• Molar Refractivity: 103.1599 cm^3
• Polarizability: 38.571205 Å^3
• Polar Surface Area: 73.91 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.67
• LOG S: -2.4
• Polar Surface Area: 73.91 Å^2
• Rotatable Bonds: 4