chempirical

1-(1,1-Dimethylethyl) 4-ethyl 3-oxo-1,4-piperidinedicarboxylate

C13H21NO5CAS 71233-25-5271.31 g/mol

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OONOOO
CarbamateEsterKetone

Properties

Molecular formula
C13H21NO5
Molar mass
271.31 g/mol
Exact mass
271.1420 Da
logP
1.38Crippen estimate
Polar surface area
72.9 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
2

Identifiers

CAS number
71233-25-5
SMILES
CCOC(=O)C1CCN(C(=O)OC(C)(C)C)CC1=O
InChIKey
WCTXJAXKORIYNA-UHFFFAOYSA-N
InChI
InChI=1S/C13H21NO5/c1-5-18-11(16)9-6-7-14(8-10(9)15)12(17)19-13(2,3)4/h9H,5-8H2,1-4H3

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Names and synonyms

5 names
  • 1,4-Piperidinedicarboxylic acid, 3-oxo-, 1-(1,1-dimethylethyl) 4-ethyl ester
  • 1-tert-Butyl 4-ethyl 3-oxo-1,4-piperidinedicarboxylate
  • 1-(tert-Butoxycarbonyl)-3-Oxopiperidine-4-carboxylic acid ethyl ester
  • 3-Oxopiperidine-1,4-dicarboxylic acid 1-tert-butyl ester 4-ethyl ester
  • 1-O-tert-Butyl 4-O-ethyl 3-oxopiperidine-1,4-dicarboxylate

Work with 1-(1,1-Dimethylethyl) 4-ethyl 3-oxo-1,4-piperidinedicarboxylate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-(1,1-Dimethylethyl) 3-ethyl 4-oxo-1,3-pyrrolidinedicarboxylate146256-98-677 % similar 1-(1,1-Dimethylethyl) 3-ethyl 1,3-pyrrolidinedicarboxylate170844-49-264 % similar Ethyl 1-boc-3-piperidinecarboxylate130250-54-359 % similar Ethyl 1-[(1,1-dimethylethoxy)carbonyl]-4-piperidineacetate135716-09-554 % similar 1-(1,1-Dimethylethyl) 2-ethyl (2S)-5-oxo-1,2-pyrrolidinedicarboxylate144978-12-150 % similar 1-(1,1-Dimethylethyl) 4-methyl 1,4-piperidinedicarboxylate124443-68-149 % similar Ethyl 3-oxo-1-(phenylmethyl)-4-piperidinecarboxylate39514-19-748 % similar 3-Ethoxycarbonylmethylene-azetidine-1-carboxylic acid tert-butyl ester1002355-96-547 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1-(1,1-Dimethylethyl) 3-ethyl 4-oxo-1,3-piperidinedicarboxylate98977-34-5

Elsewhere

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