2-nitro-5-[3-(N-methyl-N-cyclohexylcarbamoyl)-1-piperidinyl]benzaldehyde

HCID 20164152
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Basic information

Standard SMILES
CN(C(=O)C1CCCN(c2ccc([N+](=O)[O-])c(C=O)c2)C1)C1CCCCC1
InChIKey
PRYGGDUTEGWISW-UHFFFAOYSA-N
Molecular formula
C20H27N3O4
Average molar mass
373.4 g/mol
Monoisotopic mass
373.20015635

Names & identifiers

Preferred name
2-nitro-5-[3-(N-methyl-N-cyclohexylcarbamoyl)-1-piperidinyl]benzaldehyde
IUPAC
N-cyclohexyl-1-(3-formyl-4-nitrophenyl)-N-methylpiperidine-3-carboxamide

Names & synonyms

SCHEMBL10744861PRYGGDUTEGWISW-UHFFFAOYSA-N2-nitro-5-[3-(N-methyl-N-cyclohexylcarbamoyl)-1-piperidinyl]benzaldehyde

Database identifiers

PubChem CID
20164152

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
86.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
27

Related reactions

2 records
New reaction record

Compound notes

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