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4-(3,5-dimethylpiperazine-1-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carbaldehyde (HCID 22561722)|Huagongshe
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Compound
4-(3,5-dimethylpiperazine-1-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carbaldehyde
HCID
22561722
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Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
Cc1[nH]c(C=O)c(C)c1C(=O)N1CC(C)NC(C)C1
InChIKey
WXVMBPHAMUHYMD-UHFFFAOYSA-N
Molecular formula
C14H21N3O2
Average molar mass
263.34 g/mol
Names & identifiers
Preferred name
4-(3,5-dimethylpiperazine-1-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carbaldehyde
IUPAC
4-(3,5-dimethylpiperazine-1-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carbaldehyde
Names & synonyms
SCHEMBL5410834
Database identifiers
PubChem CID
22561722
Properties
Computed structural properties
XLogP
0.9
Topological polar surface area
65.2 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
19
Formal charge
0
Complexity
351
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Related reactions
5 records
New reaction record
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
113939
As product
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID
188291
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID
955661
As reactant
Validation data from https://doi.org/10.1039/C8SC04228D
HRID
1232005
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID
2132842
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
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Compound notes
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