Ethyl 5-(4-tert-butoxycarbonyl-1-piperazinyl)benzofuran-2-carboxylate

C₂₀H₂₆N₂O₅CAS 183288-43-9374.44 g/mol

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Carbamate Ester Tertiary amine

Properties

Molecular formula: C₂₀H₂₆N₂O₅
Molar mass: 374.44 g/mol
Exact mass: 374.1842 Da
logP: 3.67Crippen estimate
Polar surface area: 72.2 Å²
H-bond donors / acceptors: 0 / 6
Rotatable bonds: 3

Identifiers

CAS number

183288-43-9

SMILES

CCOC(=O)C1=CC2=C(O1)C=CC(=C2)N3CCN(CC3)C(=O)OC(C)(C)C

InChIKey

UGJBHBXXMCVEIH-UHFFFAOYSA-N

InChI

InChI=1S/C20H26N2O5/c1-5-25-18(23)17-13-14-12-15(6-7-16(14)26-17)21-8-10-22(11-9-21)19(24)27-20(2,3)4/h6-7,12-13H,5,8-11H2,1-4H3

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Names and synonyms

1 names

1-Piperazinecarboxylic acid, 4-[2-(ethoxycarbonyl)-5-benzofuranyl]-, 1,1-dimethylethyl ester

Work with Ethyl 5-(4-tert-butoxycarbonyl-1-piperazinyl)benzofuran-2-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 5-aminobenzofuran-2-carboxylate174775-48-551 % similar 4-(4-Aminophenyl)piperazine-1-carboxylic acid tert-butyl ester170911-92-949 % similar tert-Butyl 4-(4-bromophenyl)piperazine-1-carboxylate352437-09-349 % similar 2-Benzofurancarboxylic acid ethyl ester3199-61-949 % similar tert-Butyl 4-(6-aminopyridin-3-yl)piperazine-1-carboxylate571188-59-548 % similar Ethyl 5-nitrobenzofuran-2-carboxylate69604-00-847 % similar 4-[4-(tert-Butoxycarbonyl)piperazin-1-yl]benzoic acid162046-66-447 % similar 5-(1-Piperazinyl)benzofuran-2-carboxamide183288-46-242 % similar

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

Elsewhere

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