2-Nitro-5-(4-acetylamino-1-piperidyl)benzaldehyde

HCID 19086846
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Basic information

Standard SMILES
CC(=O)NC1CCN(c2ccc([N+](=O)[O-])c(C=O)c2)CC1
InChIKey
BUKYARHZGPWGRN-UHFFFAOYSA-N
Molecular formula
C14H17N3O4
Average molar mass
291.3 g/mol
Monoisotopic mass
291.12190603

Names & identifiers

Preferred name
2-Nitro-5-(4-acetylamino-1-piperidyl)benzaldehyde
IUPAC
N-[1-(3-formyl-4-nitrophenyl)piperidin-4-yl]acetamide

Names & synonyms

SCHEMBL7295132BUKYARHZGPWGRN-UHFFFAOYSA-N2-nitro-5-(4-acetylamino-1-piperidyl)benzaldehyde

Database identifiers

PubChem CID
19086846

Properties

Computed structural properties

XLogP
1.2
Topological polar surface area
95.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
21

Related reactions

3 records
New reaction record

Linked notes

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