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24666-55-5 molecular structure
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benzyl N-(2,6-dioxopiperidin-3-yl)carbamate

ChemBase ID: 91977
Molecular Formular: C13H14N2O4
Molecular Mass: 262.26126
Monoisotopic Mass: 262.09535694
SMILES and InChIs

SMILES:
O(Cc1ccccc1)C(=O)NC1C(=O)NC(=O)CC1
Canonical SMILES:
O=C(NC1CCC(=O)NC1=O)OCc1ccccc1
InChI:
InChI=1S/C13H14N2O4/c16-11-7-6-10(12(17)15-11)14-13(18)19-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,18)(H,15,16,17)
InChIKey:
JJFWWAGUYKLJRN-UHFFFAOYSA-N

Cite this record

CBID:91977 http://www.chembase.cn/molecule-91977.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
benzyl N-(2,6-dioxopiperidin-3-yl)carbamate
IUPAC Traditional name
benzyl N-(2,6-dioxopiperidin-3-yl)carbamate
Synonyms
2-(Benzyloxycarbonylamino)glutarimide 98%
(2,6-Dioxo-piperidin-3-yl)-carbamic acid benzyl ester
CAS Number
24666-55-5
MDL Number
MFCD01075195
PubChem SID
162078675
PubChem CID
2735493

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2735493 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.6050625  H Acceptors
H Donor LogD (pH = 5.5) 0.6357599 
LogD (pH = 7.4) 0.63573354  Log P 0.63576025 
Molar Refractivity 65.7121 cm3 Polarizability 25.73729 Å3
Polar Surface Area 84.5 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
Irritant expand Show data source
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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