methyl 5-{4-[3-(morpholin-4-yl)-3-oxopropyl]piperidin-1-yl}-5-oxopentanoate

• ChemBase ID: 611642
• Molecular Formular: C18H30N2O5
• Molecular Mass: 354.4412
• Monoisotopic Mass: 354.21547207
• SMILES: N1(C(=O)CCCC(=O)OC)CCC(CCC(=O)N2CCOCC2)CC1
• Canonical SMILES: COC(=O)CCCC(=O)N1CCC(CC1)CCC(=O)N1CCOCC1
• InChI: InChI=1S/C18H30N2O5/c1-24-18(23)4-2-3-16(21)19-9-7-15(8-10-19)5-6-17(22)20-11-13-25-14-12-20/h15H,2-14H2,1H3
• InChIKey: CLQPEQRUJMKUGZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 5-{4-[3-(morpholin-4-yl)-3-oxopropyl]piperidin-1-yl}-5-oxopentanoate
• IUPAC Traditional name: methyl 5-{4-[3-(morpholin-4-yl)-3-oxopropyl]piperidin-1-yl}-5-oxopentanoate
• Synonyms: methyl 5-{4-[3-(4-morpholinyl)-3-oxopropyl]-1-piperidinyl}-5-oxopentanoate

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.0394213
• LogD (pH = 7.4): -0.039420877
• Log P: -0.03942087
• Molar Refractivity: 92.7708 cm^3
• Polarizability: 36.36949 Å^3
• Polar Surface Area: 76.15 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.02
• LOG S: -1.32
• Polar Surface Area: 76.15 Å^2
• Rotatable Bonds: 7