4-[3-Oxo-3-(2-oxo-2,3-dihydrobenzoxazol-6-yl)propyl]piperazine-1-carboxylic acid 3,5-dichlorobenzyl ester

C₂₂H₂₁Cl₂N₃O₅CAS 1144035-53-9478.33 g/mol

Open in Covalent MOL file

Aryl halide Carbamate Ketone Tertiary amine

Properties

Molecular formula: C₂₂H₂₁Cl₂N₃O₅
Molar mass: 478.33 g/mol
Exact mass: 477.0858 Da
logP: 3.96Crippen estimate
Polar surface area: 95.9 Å²
H-bond donors / acceptors: 1 / 6
Rotatable bonds: 6

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

1144035-53-9

SMILES

C1CN(CCN1CCC(=O)C2=CC3=C(C=C2)NC(=O)O3)C(=O)OCC4=CC(=CC(=C4)Cl)Cl

InChIKey

JMSUDQYHPSNBSN-UHFFFAOYSA-N

InChI

InChI=1S/C22H21Cl2N3O5/c23-16-9-14(10-17(24)12-16)13-31-22(30)27-7-5-26(6-8-27)4-3-19(28)15-1-2-18-20(11-15)32-21(29)25-18/h1-2,9-12H,3-8,13H2,(H,25,29)

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Work with 4-[3-Oxo-3-(2-oxo-2,3-dihydrobenzoxazol-6-yl)propyl]piperazine-1-carboxylic acid 3,5-dichlorobenzyl ester

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Similar compounds

Benzyl 4-oxo-1-piperidinecarboxylate19099-93-531 % similar Benzyl piperazine-1-carboxylate31166-44-631 % similar Benzyl 3-oxopyrrolidine-1-carboxylate130312-02-631 % similar 1-Cbz-4-methylene-piperidine138163-12-931 % similar Benzyl 1,4-diazepane-1-carboxylate117009-97-930 % similar Benzyl 3-oxopiperidine-1-carboxylate61995-20-830 % similar

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

Elsewhere

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