tert-butyl (2R,6R)-2-ethenyl-6-ethyl-4-oxopiperidine-1-carboxylate

C14H23NO3 — CID 57963570

IUPACtert-butyl (2R,6R)-2-ethenyl-6-ethyl-4-oxopiperidine-1-carboxylate
SMILESCC[C@@H]1CC(=O)C[C@@H](N1C(=O)OC(C)(C)C)C=C
InChIInChI=1S/C14H23NO3/c1-6-10-8-12(16)9-11(7-2)15(10)13(17)18-14(3,4)5/h6,10-11H,1,7-9H2,2-5H3/t10-,11+/m0/s1
InChIKeyWMYNGXCOJAUCLI-WDEREUQCSA-N
MW253.34 g/mol
LogP2.20
Rot. Bonds4

About tert-butyl (2R,6R)-2-ethenyl-6-ethyl-4-oxopiperidine-1-carboxylate

tert-butyl (2R,6R)-2-ethenyl-6-ethyl-4-oxopiperidine-1-carboxylate (PubChem CID 57963570) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is tert-butyl (2R,6R)-2-ethenyl-6-ethyl-4-oxopiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,6R)-2-ethenyl-6-ethyl-4-oxopiperidine-1-carboxylate
PubChem CID57963570
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Nametert-butyl (2R,6R)-2-ethenyl-6-ethyl-4-oxopiperidine-1-carboxylate
SMILESCC[C@@H]1CC(=O)C[C@@H](N1C(=O)OC(C)(C)C)C=C
InChIInChI=1S/C14H23NO3/c1-6-10-8-12(16)9-11(7-2)15(10)13(17)18-14(3,4)5/h6,10-11H,1,7-9H2,2-5H3/t10-,11+/m0/s1
InChIKeyWMYNGXCOJAUCLI-WDEREUQCSA-N
XLogP2.20
TPSA46.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity343

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tert-Butyl 3-oxo-8-azabicyclo(3.2.1)oct-6-ene-8-carboxylate
CID 71607260
tert-butyl 2-Vinylpiperidine-1-carboxylate
CID 14898394
Tert-butyl 2-allylpiperidine-1-carboxylate
CID 10656811
tert-Butyl (S)-2-vinylpiperidine-1-carboxylate
CID 11229595
tert-Butyl 3-allyl-4-oxopiperidine-1-carboxylate
CID 19391143
tert-butyl (2S)-2-prop-2-enylpiperidine-1-carboxylate
CID 11218388
tert-butyl (2R)-2-(2-oxopent-4-enyl)piperidine-1-carboxylate
CID 54753813
tert-butyl (2R)-2-[(E)-2-oxopent-3-enyl]piperidine-1-carboxylate
CID 54753814
Tert-butyl 2-pent-4-enylpiperidine-1-carboxylate
CID 134963876
tert-butyl (2S,6R)-4-oxo-2-[(Z)-5-oxopent-1-en-3-ynyl]-6-prop-2-enylpiperidine-1-carboxylate
CID 135062471
Tert-butyl 4-methylidene-2-(3-oxobutyl)piperidine-1-carboxylate
CID 164678957
(R)-tert-butyl 2-vinylpiperidine-1-carboxylate
CID 10976755

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,6R)-2-ethenyl-6-ethyl-4-oxopiperidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,6R)-2-ethenyl-6-ethyl-4-oxopiperidine-1-carboxylate (CID 57963570) is tert-butyl (2R,6R)-2-ethenyl-6-ethyl-4-oxopiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,6R)-2-ethenyl-6-ethyl-4-oxopiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,6R)-2-ethenyl-6-ethyl-4-oxopiperidine-1-carboxylate is CC[C@@H]1CC(=O)C[C@@H](N1C(=O)OC(C)(C)C)C=C.
What is the InChIKey of tert-butyl (2R,6R)-2-ethenyl-6-ethyl-4-oxopiperidine-1-carboxylate?
The InChIKey is WMYNGXCOJAUCLI-WDEREUQCSA-N. The full InChI is InChI=1S/C14H23NO3/c1-6-10-8-12(16)9-11(7-2)15(10)13(17)18-14(3,4)5/h6,10-11H,1,7-9H2,2-5H3/t10-,11+/m0/s1.
What are the key properties of tert-butyl (2R,6R)-2-ethenyl-6-ethyl-4-oxopiperidine-1-carboxylate?
tert-butyl (2R,6R)-2-ethenyl-6-ethyl-4-oxopiperidine-1-carboxylate has a molecular weight of 253.34 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,6R)-2-ethenyl-6-ethyl-4-oxopiperidine-1-carboxylate is sourced from PubChem (CID 57963570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).