Tert-butyl 4-cyclobutyl-2-[4-[[4-(trifluoromethyl)phenyl]carbamoyl]piperazine-1-carbonyl]piperazine-1-carboxylate

HCID 76584809

Notes Reactions

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Basic information

Standard SMILES: CC(C)(C)OC(=O)N1CCN(C2CCC2)CC1C(=O)N1CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1
InChIKey: BIPWZGUVBIBRAD-UHFFFAOYSA-N
Molecular formula: C26H36F3N5O4
Average molar mass: 539.6 g/mol

Names & identifiers

Preferred name: Tert-butyl 4-cyclobutyl-2-[4-[[4-(trifluoromethyl)phenyl]carbamoyl]piperazine-1-carbonyl]piperazine-1-carboxylate
IUPAC: tert-butyl 4-cyclobutyl-2-[4-[[4-(trifluoromethyl)phenyl]carbamoyl]piperazine-1-carbonyl]piperazine-1-carboxylate

Names & synonyms

SCHEMBL27712580BIPWZGUVBIBRAD-UHFFFAOYSA-NTert-butyl 4-cyclobutyl-2-[4-[[4-(trifluoromethyl)phenyl]carbamoyl]piperazine-1-carbonyl]piperazine-1-carboxylate

Database identifiers

PubChem CID: 76584809

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 85.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 8
Rotatable bonds: 5
Heavy atoms: 38
Formal charge: 0
Complexity: 860

Related reactions

1 records

New reaction record

HRID 805193As productTest data from https://doi.org/10.1039/C8SC04228D

Compound notes

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