ethyl 4-(2-methoxyethyl)-1-[3-(morpholin-4-yl)propanoyl]piperidine-4-carboxylate

• ChemBase ID: 408880
• Molecular Formular: C18H32N2O5
• Molecular Mass: 356.45708
• Monoisotopic Mass: 356.23112213
• SMILES: N1(C(=O)CCN2CCOCC2)CCC(C(=O)OCC)(CC1)CCOC
• Canonical SMILES: COCCC1(CCN(CC1)C(=O)CCN1CCOCC1)C(=O)OCC
• InChI: InChI=1S/C18H32N2O5/c1-3-25-17(22)18(7-13-23-2)5-9-20(10-6-18)16(21)4-8-19-11-14-24-15-12-19/h3-15H2,1-2H3
• InChIKey: XDJJACUWBBGICH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 4-(2-methoxyethyl)-1-[3-(morpholin-4-yl)propanoyl]piperidine-4-carboxylate
• IUPAC Traditional name: ethyl 4-(2-methoxyethyl)-1-[3-(morpholin-4-yl)propanoyl]piperidine-4-carboxylate
• Synonyms: ethyl 4-(2-methoxyethyl)-1-[3-(4-morpholinyl)propanoyl]-4-piperidinecarboxylate

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -1.5299089
• LogD (pH = 7.4): -0.078715995
• Log P: 0.10991809
• Molar Refractivity: 95.1437 cm^3
• Polarizability: 37.356274 Å^3
• Polar Surface Area: 68.31 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 0.47
• LOG S: 0.47
• Polar Surface Area: 68.31 Å^2
• Rotatable Bonds: 6