N-(3-methoxyphenyl)-2-[2-(morpholin-4-yl)ethyl]piperidine-1-carboxamide

• ChemBase ID: 509293
• Molecular Formular: C19H29N3O3
• Molecular Mass: 347.45186
• Monoisotopic Mass: 347.2208918
• SMILES: C(=O)(N1C(CCN2CCOCC2)CCCC1)Nc1cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)NC(=O)N1CCCCC1CCN1CCOCC1
• InChI: InChI=1S/C19H29N3O3/c1-24-18-7-4-5-16(15-18)20-19(23)22-9-3-2-6-17(22)8-10-21-11-13-25-14-12-21/h4-5,7,15,17H,2-3,6,8-14H2,1H3,(H,20,23)
• InChIKey: BRAFNMAPSOFGRR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.984315
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.34604058
• LogD (pH = 7.4): 1.765783
• Log P: 1.9373286
• Molar Refractivity: 99.6255 cm^3
• Polarizability: 38.040886 Å^3
• Polar Surface Area: 54.04 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: 2.03
• LOG S: -3.47
• Polar Surface Area: 54.04 Å^2
• Rotatable Bonds: 5