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6-methyl-1-(2-methylphenyl)-4-[4-(morpholin-4-yl)benzoyl]piperazin-2-one

ChemBase ID: 370667
Molecular Formular: C23H27N3O3
Molecular Mass: 393.47878
Monoisotopic Mass: 393.20524174
SMILES and InChIs

SMILES:
N1(C(=O)CN(C(=O)c2ccc(N3CCOCC3)cc2)CC1C)c1c(C)cccc1
Canonical SMILES:
CC1CN(CC(=O)N1c1ccccc1C)C(=O)c1ccc(cc1)N1CCOCC1
InChI:
InChI=1S/C23H27N3O3/c1-17-5-3-4-6-21(17)26-18(2)15-25(16-22(26)27)23(28)19-7-9-20(10-8-19)24-11-13-29-14-12-24/h3-10,18H,11-16H2,1-2H3
InChIKey:
JYJRVSNZSGCFFU-UHFFFAOYSA-N

Cite this record

CBID:370667 http://www.chembase.cn/molecule-370667.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-methyl-1-(2-methylphenyl)-4-[4-(morpholin-4-yl)benzoyl]piperazin-2-one
IUPAC Traditional name
6-methyl-1-(2-methylphenyl)-4-[4-(morpholin-4-yl)benzoyl]piperazin-2-one
Synonyms
6-methyl-1-(2-methylphenyl)-4-[4-(4-morpholinyl)benzoyl]-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 14.268011  H Acceptors
H Donor LogD (pH = 5.5) 2.6956031 
LogD (pH = 7.4) 2.6956043  Log P 2.6956043 
Molar Refractivity 113.4017 cm3 Polarizability 42.663975 Å3
Polar Surface Area 53.09 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.84  LOG S -3.44 
Polar Surface Area 53.09 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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