1,1-Dimethylethyl 2-(methylamino)-2-oxoethyl piperazine-1,4-dicarboxylate

HCID 60209554

Basic information

Standard SMILES
CNC(=O)COC(=O)N1CCN(C(=O)OC(C)(C)C)CC1
InChIKey
IRAFINHHASGAMM-UHFFFAOYSA-N
Molecular formula
C13H23N3O5
Average molar mass
301.34 g/mol
Monoisotopic mass
301.16377084

Names & identifiers

Preferred name
1,1-Dimethylethyl 2-(methylamino)-2-oxoethyl piperazine-1,4-dicarboxylate
IUPAC
4-O-tert-butyl 1-O-[2-(methylamino)-2-oxoethyl] piperazine-1,4-dicarboxylate

Names & synonyms

SCHEMBL593633IRAFINHHASGAMM-UHFFFAOYSA-N1,1-dimethylethyl 2-(methylamino)-2-oxoethyl 1,4-piperazinedicarboxylate1,1-dimethylethyl 2-(methylamino)-2-oxoethyl piperazine-1,4-dicarboxylate

Database identifiers

PubChem CID
60209554

Properties

Computed structural properties

XLogP
0.1
Topological polar surface area
88.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
21

Related reactions

4 records

Compound notes

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