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tert-Butyl 4-(1-methyl-1H-imidazole-5-carbonyl)piperidine-1-carboxylate

HCID 66677755
NotesReactions

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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Cn1cncc1C(=O)C1CCN(C(=O)OC(C)(C)C)CC1
InChIKey
YZYQFXYUOQJFIY-UHFFFAOYSA-N
Molecular formula
C15H23N3O3
Average molar mass
293.36 g/mol
Monoisotopic mass
293.1739416

Names & identifiers

Preferred name
tert-Butyl 4-(1-methyl-1H-imidazole-5-carbonyl)piperidine-1-carboxylate
IUPAC
tert-butyl 4-(3-methylimidazole-4-carbonyl)piperidine-1-carboxylate

Names & synonyms

1004527-66-5SCHEMBL406828YZYQFXYUOQJFIY-UHFFFAOYSA-Ntert-Butyl 4-(1-methyl-1H-imidazole-5-carbonyl)piperidine-1-carboxylateDA-48431

Database identifiers

PubChem CID
66677755

Properties

Computed structural propertiesFilling in

XLogP
1.4
Topological polar surface area
64.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
21
Formal charge
0
Complexity
397

Related reactions

11 records
New reaction record
HRID 627535 reaction equation
HRID 627535As productuspto-grants-2016_04
HRID 627536 reaction equation
HRID 627536As reactantuspto-grants-2016_04
HRID 627569 reaction equation
HRID 627569As reactantuspto-grants-2016_04
HRID 926539 reaction equation
HRID 926539As productuspto-grants-2016_03
HRID 926540 reaction equation
HRID 926540As reactantuspto-grants-2016_03
HRID 926626 reaction equation
HRID 926626As reactantuspto-grants-2016_03
HRID 928785 reaction equation
HRID 928785As productuspto-grants-2016_03
HRID 928786 reaction equation
HRID 928786As reactantuspto-grants-2016_03
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Compound notes

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