N-(4-acetylphenyl)-2-[2-(morpholin-4-yl)ethyl]piperidine-1-carboxamide

• ChemBase ID: 831371
• Molecular Formular: C20H29N3O3
• Molecular Mass: 359.46256
• Monoisotopic Mass: 359.2208918
• SMILES: C(=O)(N1C(CCN2CCOCC2)CCCC1)Nc1ccc(C(=O)C)cc1
• Canonical SMILES: O=C(N1CCCCC1CCN1CCOCC1)Nc1ccc(cc1)C(=O)C
• InChI: InChI=1S/C20H29N3O3/c1-16(24)17-5-7-18(8-6-17)21-20(25)23-10-3-2-4-19(23)9-11-22-12-14-26-15-13-22/h5-8,19H,2-4,9-15H2,1H3,(H,21,25)
• InChIKey: XOIWVDCCEVWXIE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.845797
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.06135936
• LogD (pH = 7.4): 1.4811014
• Log P: 1.6526473
• Molar Refractivity: 103.5651 cm^3
• Polarizability: 39.257477 Å^3
• Polar Surface Area: 61.88 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.49
• LOG S: -3.09
• Polar Surface Area: 61.88 Å^2
• Rotatable Bonds: 5