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1-(2-oxo-2-{9-oxo-octahydro-1H-pyrazino[1,2-a]piperazin-2-yl}ethyl)piperidin-2-one

ChemBase ID: 450106
Molecular Formular: C14H22N4O3
Molecular Mass: 294.34948
Monoisotopic Mass: 294.16919058
SMILES and InChIs

SMILES:
C12CN(C(=O)CN3C(=O)CCCC3)CCN1CCNC2=O
Canonical SMILES:
O=C(N1CCN2C(C1)C(=O)NCC2)CN1CCCCC1=O
InChI:
InChI=1S/C14H22N4O3/c19-12-3-1-2-5-17(12)10-13(20)18-8-7-16-6-4-15-14(21)11(16)9-18/h11H,1-10H2,(H,15,21)
InChIKey:
LTPICVMIFKFDDZ-UHFFFAOYSA-N

Cite this record

CBID:450106 http://www.chembase.cn/molecule-450106.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(2-oxo-2-{9-oxo-octahydro-1H-pyrazino[1,2-a]piperazin-2-yl}ethyl)piperidin-2-one
IUPAC Traditional name
1-(2-oxo-2-{9-oxo-hexahydro-1H-pyrazino[1,2-a]piperazin-2-yl}ethyl)piperidin-2-one
Synonyms
8-[(2-oxopiperidin-1-yl)acetyl]hexahydro-2H-pyrazino[1,2-a]pyrazin-1(6H)-one

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 13.995079  H Acceptors
H Donor LogD (pH = 5.5) -2.0969546 
LogD (pH = 7.4) -2.011904  Log P -2.010704 
Molar Refractivity 76.0857 cm3 Polarizability 29.557482 Å3
Polar Surface Area 72.96 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.11  LOG S -2.75 
Polar Surface Area 72.96 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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