2-methoxyethyl 4-[3-(morpholine-4-carbonyl)piperidin-1-yl]piperidine-1-carboxylate

• ChemBase ID: 515808
• Molecular Formular: C19H33N3O5
• Molecular Mass: 383.48242
• Monoisotopic Mass: 383.24202117
• SMILES: C(=O)(C1CN(C2CCN(C(=O)OCCOC)CC2)CCC1)N1CCOCC1
• Canonical SMILES: COCCOC(=O)N1CCC(CC1)N1CCCC(C1)C(=O)N1CCOCC1
• InChI: InChI=1S/C19H33N3O5/c1-25-13-14-27-19(24)21-7-4-17(5-8-21)22-6-2-3-16(15-22)18(23)20-9-11-26-12-10-20/h16-17H,2-15H2,1H3
• InChIKey: SBHIRLLAYNYVAN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxyethyl 4-[3-(morpholine-4-carbonyl)piperidin-1-yl]piperidine-1-carboxylate
• IUPAC Traditional name: 2-methoxyethyl 4-[3-(morpholine-4-carbonyl)piperidin-1-yl]piperidine-1-carboxylate
• Synonyms: 2-methoxyethyl 3-(morpholin-4-ylcarbonyl)-1,4'-bipiperidine-1'-carboxylate

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -3.685922
• LogD (pH = 7.4): -2.3154597
• Log P: -0.33288726
• Molar Refractivity: 101.2955 cm^3
• Polarizability: 39.62547 Å^3
• Polar Surface Area: 71.55 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 0.43
• LOG S: -2.36
• Polar Surface Area: 71.55 Å^2
• Rotatable Bonds: 6