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methyl 2-(4-benzyl-3-methyl-2-oxopiperazin-1-yl)acetate

ChemBase ID: 322573
Molecular Formular: C15H20N2O3
Molecular Mass: 276.3309
Monoisotopic Mass: 276.14739251
SMILES and InChIs

SMILES:
C1(=O)N(CC(=O)OC)CCN(C1C)Cc1ccccc1
Canonical SMILES:
COC(=O)CN1CCN(C(C1=O)C)Cc1ccccc1
InChI:
InChI=1S/C15H20N2O3/c1-12-15(19)17(11-14(18)20-2)9-8-16(12)10-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3
InChIKey:
CDNXSDKUMBDNKZ-UHFFFAOYSA-N

Cite this record

CBID:322573 http://www.chembase.cn/molecule-322573.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 2-(4-benzyl-3-methyl-2-oxopiperazin-1-yl)acetate
IUPAC Traditional name
methyl 2-(4-benzyl-3-methyl-2-oxopiperazin-1-yl)acetate
Synonyms
methyl (4-benzyl-3-methyl-2-oxopiperazin-1-yl)acetate

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 11310162 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 0.08353619  LogD (pH = 7.4) 1.0106558 
Log P 1.0541521  Molar Refractivity 75.6795 cm3
Polarizability 29.676043 Å3 Polar Surface Area 49.85 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.11  LOG S -3.87 
Polar Surface Area 49.85 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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