tert-butyl 2-ethyl-4-oxo-6-prop-1-en-2-ylpiperidine-1-carboxylate

C15H25NO3 — CID 68849719

IUPACtert-butyl 2-ethyl-4-oxo-6-prop-1-en-2-ylpiperidine-1-carboxylate
SMILESC=C(C)C1CC(=O)CC(CC)N1C(=O)OC(C)(C)C
InChIInChI=1S/C15H25NO3/c1-7-11-8-12(17)9-13(10(2)3)16(11)14(18)19-15(4,5)6/h11,13H,2,7-9H2,1,3-6H3
InChIKeyINDNVPUDOSVEQJ-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.31
Rot. Bonds2

About tert-butyl 2-ethyl-4-oxo-6-prop-1-en-2-ylpiperidine-1-carboxylate

tert-butyl 2-ethyl-4-oxo-6-prop-1-en-2-ylpiperidine-1-carboxylate (PubChem CID 68849719) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is tert-butyl 2-ethyl-4-oxo-6-prop-1-en-2-ylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-ethyl-4-oxo-6-prop-1-en-2-ylpiperidine-1-carboxylate
PubChem CID68849719
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Nametert-butyl 2-ethyl-4-oxo-6-prop-1-en-2-ylpiperidine-1-carboxylate
SMILESC=C(C)C1CC(=O)CC(CC)N1C(=O)OC(C)(C)C
InChIInChI=1S/C15H25NO3/c1-7-11-8-12(17)9-13(10(2)3)16(11)14(18)19-15(4,5)6/h11,13H,2,7-9H2,1,3-6H3
InChIKeyINDNVPUDOSVEQJ-UHFFFAOYSA-N
XLogP3.31
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.31
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 3-methylidene-4-oxopiperidine-1-carboxylate
CID 11229593
tert-butyl (2R)-2-(2-oxopent-4-enyl)piperidine-1-carboxylate
CID 54753813
Tert-butyl 4-methylidene-2-(3-oxobutyl)piperidine-1-carboxylate
CID 164678957
tert-Butyl 2-allyl-4-oxopiperidine-1-carboxylate
CID 18340820
1-(tert-Butoxycarbonyl)-2-methyl-4-methylenepiperidine
CID 18670568
tert-Butyl 2,6-diethyl-4-oxopiperidine-1-carboxylate
CID 44558577
N-Boc-cis-2,6-Diethyl-4-piperidone
CID 51900972
(2S,6S)-2,6-Diethyl-4-oxo-piperidine-1-carboxylic acid tert-butyl ester
CID 52386045
(2R,6R)-2,6-Diethyl-4-oxo-piperidine-1-carboxylic acid tert-butyl ester
CID 52386046
tert-butyl (2R,6S)-6-ethyl-2-ethyl-4-oxopiperidine-1-carboxylate
CID 57963365
tert-butyl (2R,6S)-2-ethyl-4-oxo-6-prop-2-enylpiperidine-1-carboxylate
CID 57963491

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-ethyl-4-oxo-6-prop-1-en-2-ylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-ethyl-4-oxo-6-prop-1-en-2-ylpiperidine-1-carboxylate (CID 68849719) is tert-butyl 2-ethyl-4-oxo-6-prop-1-en-2-ylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-ethyl-4-oxo-6-prop-1-en-2-ylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-ethyl-4-oxo-6-prop-1-en-2-ylpiperidine-1-carboxylate is C=C(C)C1CC(=O)CC(CC)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-ethyl-4-oxo-6-prop-1-en-2-ylpiperidine-1-carboxylate?
The InChIKey is INDNVPUDOSVEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-7-11-8-12(17)9-13(10(2)3)16(11)14(18)19-15(4,5)6/h11,13H,2,7-9H2,1,3-6H3.
What are the key properties of tert-butyl 2-ethyl-4-oxo-6-prop-1-en-2-ylpiperidine-1-carboxylate?
tert-butyl 2-ethyl-4-oxo-6-prop-1-en-2-ylpiperidine-1-carboxylate has a molecular weight of 267.37 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-ethyl-4-oxo-6-prop-1-en-2-ylpiperidine-1-carboxylate is sourced from PubChem (CID 68849719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).