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N-Carbethoxy-4-piperidone

CAT: 0013-GTR19175601-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19175601-01Size:1 g
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Description
N-Carbethoxy-4-piperidone is a chemical building block used in medicinal chemistry research. It serves as a key intermediate in the synthesis of various pharmacologically active compounds, including aminopyrimidine derivatives, for in vitro biochemical studies.
CAS Number
29976-53-2
Product Name Alternative
N Carbethoxy 4 piperidone, NCarbethoxy4piperidone, N-Carbethoxy-4-piperidone
Field of Research
Metabolism Research
Purity
97.82% (May vary between batches)
Solubility
DMSO:60 mg/mL (350.49 mM)
Smiles
CCOC (=O) N1CCC (=O) CC1
Molecular Formula
C8H13NO3
Molecular Weight
171.19
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Ethyl 4-oxo-1-piperidinecarboxylate
CAS Number29976-53-2
PubChem CID34767
IUPAC Nameethyl 4-oxopiperidine-1-carboxylate
Molecular FormulaC8H13NO3
Molecular Weight171.19
XLogP-0.1
Topological Polar Surface Area46.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity181
SMILES
CCOC(=O)N1CCC(=O)CC1
InChI
InChI=1S/C8H13NO3/c1-2-12-8(11)9-5-3-7(10)4-6-9/h2-6H2,1H3
InChIKey
LUBGFMZTGFXIIN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl 4-oxo-1-piperidinecarboxylate
CAS: 29976-53-2
CID: 34767
Formula: C8H13NO3
MW: 171.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight171.19
XLogP3-0.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass171.08954328
Monoisotopic Mass171.08954328
Topological Polar Surface Area46.6 Ų
Heavy Atom Count12
Formal Charge0
Complexity181
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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