chempirical

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

C13H21NO5CAS 98977-34-5271.31 g/mol

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CarbamateEsterKetone

Properties

Molecular formula
C13H21NO5
Molar mass
271.31 g/mol
Exact mass
271.1420 Da
Melting point
64–65 °C
logP
1.38Crippen estimate
Polar surface area
72.9 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
2

Identifiers

CAS number
98977-34-5
SMILES
CCOC(=O)C1CN(C(=O)OC(C)(C)C)CCC1=O
InChIKey
ABBVAMUCDQETDO-UHFFFAOYSA-N
InChI
InChI=1S/C13H21NO5/c1-5-18-11(16)9-8-14(7-6-10(9)15)12(17)19-13(2,3)4/h9H,5-8H2,1-4H3

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Names and synonyms

6 names
  • 1,3-Piperidinedicarboxylic acid, 4-oxo-, 1-(1,1-dimethylethyl) 3-ethyl ester
  • Ethyl N-tert-butoxycarbonyl-4-oxo-3-piperidinecarboxylate
  • 1-tert-Butyl 3-ethyl 4-oxopiperidine-1,3-dicarboxylate
  • 4-Oxopiperidine-1,3-dicarboxylic acid 1-tert-butyl ester 3-ethyl ester
  • 1-tert-Butoxycarbonyl-3-(ethoxycarbonyl)piperidin-4-one
  • 1-O-tert-Butyl 3-O-ethyl 4-oxopiperidine-1,3-dicarboxylate

Work with 1-(1,1-Dimethylethyl) 3-ethyl 4-oxo-1,3-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-piperidinecarboxylate130250-54-363 % similar 1,1-Dimethylethyl 3-fluoro-4-oxo-1-piperidinecarboxylate211108-50-857 % similar 1-(1,1-Dimethylethyl) 2-ethyl (2S)-5-oxo-1,2-pyrrolidinedicarboxylate144978-12-150 % similar Ethyl 1-[(1,1-dimethylethoxy)carbonyl]-4-piperidineacetate135716-09-548 % similar 1-tert-Butyl 3-methyl pyrrolidine-1,3-dicarboxylate122684-33-747 % similar tert-Butyl 4-oxopiperidine-1-carboxylate79099-07-347 % similar

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

Same formula

1-(1,1-Dimethylethyl) 4-ethyl 3-oxo-1,4-piperidinedicarboxylate71233-25-5

Elsewhere

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