Ethyl 1-[2-(adamantane-1-carbonyloxy)acetyl]piperidine-4-carboxylate

HCID 5083374

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Basic information

CAS: 452943-68-9
Standard SMILES: CCOC(=O)C1CCN(C(=O)COC(=O)C23CC4CC(CC(C4)C2)C3)CC1
InChIKey: IKMZWYMEBIQPLU-UHFFFAOYSA-N
Molecular formula: C21H31NO5
Average molar mass: 377.5 g/mol
Monoisotopic mass: 377.22022309

Names & identifiers

Preferred name: Ethyl 1-[2-(adamantane-1-carbonyloxy)acetyl]piperidine-4-carboxylate
IUPAC: ethyl 1-[2-(adamantane-1-carbonyloxy)acetyl]piperidine-4-carboxylate

Names & synonyms

ethyl 1-[2-(adamantane-1-carbonyloxy)acetyl]piperidine-4-carboxylateOprea1_670342MLS002246577CHEMBL2136249DTXSID101328872HMS3061C20AKOS033712894452943-68-9SMR001310185Z19816279Ethyl 1-{[(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)oxy]acetyl}piperidine-4-carboxylate

Database identifiers

CAS: 452943-68-9
PubChem CID: 5083374
DTXSID: DTXSID101328872
ChEMBL: CHEMBL2136249

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 72.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 7
Heavy atoms: 27
Formal charge: 0
Complexity: 566

Experimental & physicochemical properties

Solubility50.7 [ug/mL] (The mean of the results at pH 7.4)

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Compound notes

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