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tert-butyl 4-[(4,5-diethyl-1H-imidazole-2-carbonyl)amino]-3-methoxypiperidine-1-carboxylate

HCID 68417148
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCc1nc(C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2OC)[nH]c1CC
InChIKey
DEQUZYNWJVSEJS-UHFFFAOYSA-N
Molecular formula
C19H32N4O4
Average molar mass
380.5 g/mol

Names & identifiers

Preferred name
tert-butyl 4-[(4,5-diethyl-1H-imidazole-2-carbonyl)amino]-3-methoxypiperidine-1-carboxylate
IUPAC
tert-butyl 4-[(4,5-diethyl-1H-imidazole-2-carbonyl)amino]-3-methoxypiperidine-1-carboxylate

Names & synonyms

SCHEMBL2852283

Database identifiers

PubChem CID
68417148

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
96.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
7
Heavy atoms
27
Formal charge
0
Complexity
522

Related reactions

1 records
New reaction record
HRID 124849 reaction equation
HRID 124849As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

Compound notes

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