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4-{2-[(2-methoxyethyl)(methyl)amino]acetyl}-1-(4-methoxyphenyl)piperazin-2-one

ChemBase ID: 410186
Molecular Formular: C17H25N3O4
Molecular Mass: 335.3981
Monoisotopic Mass: 335.1845063
SMILES and InChIs

SMILES:
N1(C(=O)CN(C(=O)CN(CCOC)C)CC1)c1ccc(cc1)OC
Canonical SMILES:
COCCN(CC(=O)N1CCN(C(=O)C1)c1ccc(cc1)OC)C
InChI:
InChI=1S/C17H25N3O4/c1-18(10-11-23-2)12-16(21)19-8-9-20(17(22)13-19)14-4-6-15(24-3)7-5-14/h4-7H,8-13H2,1-3H3
InChIKey:
WUKAPIKJXZBRLA-UHFFFAOYSA-N

Cite this record

CBID:410186 http://www.chembase.cn/molecule-410186.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-{2-[(2-methoxyethyl)(methyl)amino]acetyl}-1-(4-methoxyphenyl)piperazin-2-one
IUPAC Traditional name
4-{2-[(2-methoxyethyl)(methyl)amino]acetyl}-1-(4-methoxyphenyl)piperazin-2-one
Synonyms
4-[N-(2-methoxyethyl)-N-methylglycyl]-1-(4-methoxyphenyl)-2-piperazinone

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 15.30693  H Acceptors
H Donor LogD (pH = 5.5) -1.7139657 
LogD (pH = 7.4) -0.41287547  Log P -0.29125816 
Molar Refractivity 90.7038 cm3 Polarizability 35.18185 Å3
Polar Surface Area 62.32 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P -0.1  LOG S -2.87 
Polar Surface Area 62.32 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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