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4-[2-(benzyloxy)acetyl]-1,3-dimethylpiperazin-2-one

ChemBase ID: 322460
Molecular Formular: C15H20N2O3
Molecular Mass: 276.3309
Monoisotopic Mass: 276.14739251
SMILES and InChIs

SMILES:
N1(C(C(=O)N(CC1)C)C)C(=O)COCc1ccccc1
Canonical SMILES:
CC1C(=O)N(C)CCN1C(=O)COCc1ccccc1
InChI:
InChI=1S/C15H20N2O3/c1-12-15(19)16(2)8-9-17(12)14(18)11-20-10-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3
InChIKey:
FELQYAXJWDFVCP-UHFFFAOYSA-N

Cite this record

CBID:322460 http://www.chembase.cn/molecule-322460.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-[2-(benzyloxy)acetyl]-1,3-dimethylpiperazin-2-one
IUPAC Traditional name
4-[2-(benzyloxy)acetyl]-1,3-dimethylpiperazin-2-one
Synonyms
4-[(benzyloxy)acetyl]-1,3-dimethylpiperazin-2-one

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 11294204 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)
Acid pKa 19.68157  H Acceptors
H Donor LogD (pH = 5.5) 0.48304752 
LogD (pH = 7.4) 0.48304752  Log P 0.48304752 
Molar Refractivity 75.5504 cm3 Polarizability 29.290462 Å3
Polar Surface Area 49.85 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.37  LOG S -2.39 
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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