4-{2-[5-(1-cyclopropanecarbonylpiperidin-2-yl)-1,2,3,6-tetrahydropyridin-1-yl]ethyl}morpholine

• ChemBase ID: 443546
• Molecular Formular: C20H33N3O2
• Molecular Mass: 347.49492
• Monoisotopic Mass: 347.25727731
• SMILES: N1(C(=O)C2CC2)C(C2=CCCN(C2)CCN2CCOCC2)CCCC1
• Canonical SMILES: O=C(N1CCCCC1C1=CCCN(C1)CCN1CCOCC1)C1CC1
• InChI: InChI=1S/C20H33N3O2/c24-20(17-6-7-17)23-9-2-1-5-19(23)18-4-3-8-22(16-18)11-10-21-12-14-25-15-13-21/h4,17,19H,1-3,5-16H2
• InChIKey: DPGAPYKGNGICLY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{2-[5-(1-cyclopropanecarbonylpiperidin-2-yl)-1,2,3,6-tetrahydropyridin-1-yl]ethyl}morpholine
• IUPAC Traditional name: 4-{2-[3-(1-cyclopropanecarbonylpiperidin-2-yl)-5,6-dihydro-2H-pyridin-1-yl]ethyl}morpholine
• Synonyms: 4-{2-[5-[1-(cyclopropylcarbonyl)piperidin-2-yl]-3,6-dihydropyridin-1(2H)-yl]ethyl}morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.8513803
• LogD (pH = 7.4): -0.14812778
• Log P: 1.2228259
• Molar Refractivity: 101.4524 cm^3
• Polarizability: 39.362053 Å^3
• Polar Surface Area: 36.02 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -0.07
• LOG S: -2.98
• Polar Surface Area: 36.02 Å^2
• Rotatable Bonds: 5