N-(3-acetylphenyl)-3-(morpholin-4-yl)piperidine-1-carboxamide

• ChemBase ID: 695456
• Molecular Formular: C18H25N3O3
• Molecular Mass: 331.4094
• Monoisotopic Mass: 331.18959168
• SMILES: C(=O)(N1CC(N2CCOCC2)CCC1)Nc1cc(C(=O)C)ccc1
• Canonical SMILES: O=C(N1CCCC(C1)N1CCOCC1)Nc1cccc(c1)C(=O)C
• InChI: InChI=1S/C18H25N3O3/c1-14(22)15-4-2-5-16(12-15)19-18(23)21-7-3-6-17(13-21)20-8-10-24-11-9-20/h2,4-5,12,17H,3,6-11,13H2,1H3,(H,19,23)
• InChIKey: HUMTYYFJFIUKRI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-acetylphenyl)-3-(morpholin-4-yl)piperidine-1-carboxamide
• IUPAC Traditional name: N-(3-acetylphenyl)-3-(morpholin-4-yl)piperidine-1-carboxamide
• Synonyms: N-(3-acetylphenyl)-3-(4-morpholinyl)-1-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.113949
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.4574999
• LogD (pH = 7.4): 1.1272523
• Log P: 1.1481189
• Molar Refractivity: 94.0987 cm^3
• Polarizability: 35.5799 Å^3
• Polar Surface Area: 61.88 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.34
• LOG S: -2.48
• Polar Surface Area: 61.88 Å^2
• Rotatable Bonds: 3