Ethyl 4-[2-(3,5-dichlorobenzoyl)oxyacetyl]piperazine-1-carboxylate

HCID 8900985

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Basic information

CAS: 874973-36-1
Standard SMILES: CCOC(=O)N1CCN(C(=O)COC(=O)c2cc(Cl)cc(Cl)c2)CC1
InChIKey: IIWVTLYHFNOMOM-UHFFFAOYSA-N
Molecular formula: C16H18Cl2N2O5
Average molar mass: 389.2 g/mol
Monoisotopic mass: 388.0592771

Names & identifiers

Preferred name: Ethyl 4-[2-(3,5-dichlorobenzoyl)oxyacetyl]piperazine-1-carboxylate
IUPAC: ethyl 4-[2-(3,5-dichlorobenzoyl)oxyacetyl]piperazine-1-carboxylate

Names & synonyms

ethyl 4-[2-(3,5-dichlorobenzoyl)oxyacetyl]piperazine-1-carboxylateMLS002158239CHEMBL1872221DTXSID601323841HMS3084O11AKOS001215625874973-36-1SMR001240715Z18403317Ethyl 4-{[(3,5-dichlorobenzoyl)oxy]acetyl}piperazine-1-carboxylate

Database identifiers

CAS: 874973-36-1
PubChem CID: 8900985
DTXSID: DTXSID601323841
ChEMBL: CHEMBL1872221

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 76.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 6
Heavy atoms: 25
Formal charge: 0
Complexity: 487

Experimental & physicochemical properties

Solubility57.2 [ug/mL] (The mean of the results at pH 7.4)

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