ethyl 2-(N-methyl-1-{1-[3-(morpholin-4-yl)propyl]-6-oxopiperidin-3-yl}formamido)acetate

• ChemBase ID: 559397
• Molecular Formular: C18H31N3O5
• Molecular Mass: 369.45584
• Monoisotopic Mass: 369.22637111
• SMILES: C1(C(=O)N(CC(=O)OCC)C)CN(C(=O)CC1)CCCN1CCOCC1
• Canonical SMILES: CCOC(=O)CN(C(=O)C1CCC(=O)N(C1)CCCN1CCOCC1)C
• InChI: InChI=1S/C18H31N3O5/c1-3-26-17(23)14-19(2)18(24)15-5-6-16(22)21(13-15)8-4-7-20-9-11-25-12-10-20/h15H,3-14H2,1-2H3
• InChIKey: IBKACBUJRDEJGK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(N-methyl-1-{1-[3-(morpholin-4-yl)propyl]-6-oxopiperidin-3-yl}formamido)acetate
• IUPAC Traditional name: ethyl 2-(N-methyl-1-{1-[3-(morpholin-4-yl)propyl]-6-oxopiperidin-3-yl}formamido)acetate
• Synonyms: ethyl N-methyl-N-({1-[3-(4-morpholinyl)propyl]-6-oxo-3-piperidinyl}carbonyl)glycinate

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -2.4656453
• LogD (pH = 7.4): -1.1709534
• Log P: -1.0515139
• Molar Refractivity: 97.0184 cm^3
• Polarizability: 37.89896 Å^3
• Polar Surface Area: 79.39 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: 0.69
• LOG S: 0.77
• Polar Surface Area: 79.39 Å^2
• Rotatable Bonds: 7