N-[2-(morpholin-4-yl)ethyl]-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide

• ChemBase ID: 397864
• Molecular Formular: C21H31N3O3
• Molecular Mass: 373.48914
• Monoisotopic Mass: 373.23654187
• SMILES: N1(C(=O)CCC(C(=O)NCCN2CCOCC2)C1)CCCc1ccccc1
• Canonical SMILES: O=C(C1CCC(=O)N(C1)CCCc1ccccc1)NCCN1CCOCC1
• InChI: InChI=1S/C21H31N3O3/c25-20-9-8-19(21(26)22-10-12-23-13-15-27-16-14-23)17-24(20)11-4-7-18-5-2-1-3-6-18/h1-3,5-6,19H,4,7-17H2,(H,22,26)
• InChIKey: QCUZIKQAHBJCCK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(morpholin-4-yl)ethyl]-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide
• IUPAC Traditional name: N-[2-(morpholin-4-yl)ethyl]-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide
• Synonyms: N-[2-(4-morpholinyl)ethyl]-6-oxo-1-(3-phenylpropyl)-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.712829
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.44032234
• LogD (pH = 7.4): 1.1203499
• Log P: 1.1418679
• Molar Refractivity: 105.6226 cm^3
• Polarizability: 41.13118 Å^3
• Polar Surface Area: 61.88 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.87
• LOG S: -1.64
• Polar Surface Area: 61.88 Å^2
• Rotatable Bonds: 8