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(RS)-2-(methoxy-methyl-carbamoyl)4-methyl-piperazine-1-carboxylic acid dimethyl-ethyl ester

HCID 86625772
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CON(C)C(=O)C1CN(C)CCN1C(=O)OC(C)(C)C
InChIKey
CGXAOTWCEBQGSX-UHFFFAOYSA-N
Molecular formula
C13H25N3O4
Average molar mass
287.36 g/mol

Names & identifiers

Preferred name
(RS)-2-(methoxy-methyl-carbamoyl)4-methyl-piperazine-1-carboxylic acid dimethyl-ethyl ester
IUPAC
tert-butyl 2-[methoxy(methyl)carbamoyl]-4-methylpiperazine-1-carboxylate

Names & synonyms

SCHEMBL1255588CGXAOTWCEBQGSX-UHFFFAOYSA-N(RS)-2-(methoxy-methyl-carbamoyl)4-methyl-piperazine-1-carboxylic acid dimethyl-ethyl ester(RS)-2-(Methoxy-methyl-carbamoyl)-4-methyl-piperazine-1-carboxylic acid dimethyl-ethyl ester

Database identifiers

PubChem CID
86625772

Properties

Computed structural properties

XLogP
0.5
Topological polar surface area
62.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
20
Formal charge
0
Complexity
367

Related reactions

18 records
New reaction record
HRID 598563 reaction equation
HRID 598563As reactantuspto-grants-2011_03
HRID 598568 reaction equation
HRID 598568As reactantuspto-grants-2011_03
HRID 598569 reaction equation
HRID 598569As reactantuspto-grants-2011_03
HRID 681521 reaction equation
HRID 681521As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 836093 reaction equation
HRID 836093As reactantTest data from https://doi.org/10.1039/C8SC04228D
HRID 945823 reaction equation
HRID 945823As reactantValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1367001 reaction equation
HRID 1367001As reactantuspto-grants-2011_02
HRID 1367006 reaction equation
HRID 1367006As reactantuspto-grants-2011_02
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Compound notes

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