tert-Butyl 4-(3-ethoxy-3-oxopropanoyl)piperidine-1-carboxylate

C₁₅H₂₅NO₅CAS 479630-08-5299.37 g/mol

Open in Covalent MOL file

Carbamate Ester Ketone

Properties

Molecular formula: C₁₅H₂₅NO₅
Molar mass: 299.37 g/mol
Exact mass: 299.1733 Da
logP: 2.16Crippen estimate
Polar surface area: 72.9 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

479630-08-5

SMILES

CCOC(=O)CC(=O)C1CCN(CC1)C(=O)OC(C)(C)C

InChIKey

CWTULLANCDLMGK-UHFFFAOYSA-N

InChI

InChI=1S/C15H25NO5/c1-5-20-13(18)10-12(17)11-6-8-16(9-7-11)14(19)21-15(2,3)4/h11H,5-10H2,1-4H3

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Names and synonyms

1 names

4-(2-Ethoxycarbonyl-acetyl)-piperidine-1-carboxylic acid tert-butyl ester

Work with tert-Butyl 4-(3-ethoxy-3-oxopropanoyl)piperidine-1-carboxylate

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

Ethyl 1-[(1,1-dimethylethoxy)carbonyl]-4-piperidineacetate135716-09-567 % similar 1-tert-Butyl 4-ethyl piperidine-1,4-dicarboxylate142851-03-467 % similar tert-Butyl 4-(2-Bromoacetyl)piperidine-1-carboxylate301221-79-461 % similar 1-(1,1-Dimethylethyl) 3-ethyl 1,3-pyrrolidinedicarboxylate170844-49-260 % similar Ethyl 3-cyclopentyl-3-oxopropanoate24922-00-760 % similar 1-tert-Butyl 4-ethyl 5-oxoazepane-1,4-dicarboxylate141642-82-259 % similar Ethyl 3-cyclopropyl-3-oxopropanoate24922-02-959 % similar 1-(1,1-Dimethylethyl) 4-ethyl 3-oxo-1,4-piperidinedicarboxylate71233-25-557 % similar

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

Elsewhere

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