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24318-88-5 molecular structure
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methyl 1-ethyl-4-oxopiperidine-3-carboxylate

ChemBase ID: 311708
Molecular Formular: C9H15NO3
Molecular Mass: 185.2203
Monoisotopic Mass: 185.10519335
SMILES and InChIs

SMILES:
C1(C(=O)OC)C(=O)CCN(C1)CC
Canonical SMILES:
CCN1CCC(=O)C(C1)C(=O)OC
InChI:
InChI=1S/C9H15NO3/c1-3-10-5-4-8(11)7(6-10)9(12)13-2/h7H,3-6H2,1-2H3
InChIKey:
LBJQXRUNQYWMST-UHFFFAOYSA-N

Cite this record

CBID:311708 http://www.chembase.cn/molecule-311708.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 1-ethyl-4-oxopiperidine-3-carboxylate
IUPAC Traditional name
methyl 1-ethyl-4-oxopiperidine-3-carboxylate
Synonyms
methyl 1-ethyl-4-oxo-3-piperidinecarboxylate hydrochloride
CAS Number
24318-88-5
MDL Number
MFCD09836251

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.35457563  LogD (pH = 7.4) 0.5704062 
Log P 0.41051367  Molar Refractivity 48.2729 cm3
Polarizability 18.976479 Å3 Polar Surface Area 46.61 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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