tert-Butyl 4-(1-methoxy-3-(2-nitrophenyl)-1-oxopropan-2-yl)piperazine-1-carboxylate

HCID 59732018
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Basic information

Standard SMILES
COC(=O)C(Cc1ccccc1[N+](=O)[O-])N1CCN(C(=O)OC(C)(C)C)CC1
InChIKey
WEXWFLOOFHUPIZ-UHFFFAOYSA-N
Molecular formula
C19H27N3O6
Average molar mass
393.4 g/mol

Names & identifiers

Preferred name
tert-Butyl 4-(1-methoxy-3-(2-nitrophenyl)-1-oxopropan-2-yl)piperazine-1-carboxylate
IUPAC
tert-butyl 4-[1-methoxy-3-(2-nitrophenyl)-1-oxopropan-2-yl]piperazine-1-carboxylate

Names & synonyms

885609-27-8SCHEMBL12512936WEXWFLOOFHUPIZ-UHFFFAOYSA-Ntert-Butyl 4-(1-methoxy-3-(2-nitrophenyl)-1-oxopropan-2-yl)piperazine-1-carboxylateDA-40854

Database identifiers

PubChem CID
59732018

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
105 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
7
Heavy atoms
28

Related reactions

9 records
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Compound notes

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