5-Nitro-2-(1-piperidinyl)benzamide
Basic information
- CAS
50891-30-0- Standard SMILES
NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1- InChIKey
KKXFFJLUJRUDIO-UHFFFAOYSA-N- Molecular formula
- C12H15N3O3
- Average molar mass
- 249.27 g/mol
- Monoisotopic mass
- 249.11134135
Names & identifiers
- Preferred name
- 5-Nitro-2-(1-piperidinyl)benzamide
- IUPAC
- 5-nitro-2-piperidin-1-ylbenzamide
Names & synonyms
5-nitro-2-(1-piperidinyl)benzamide5-nitro-2-(piperidin-1-yl)benzamide50891-30-05-nitro-2-piperidin-1-ylbenzamideCambridge id 6636496MLS000678898CHEMBL1463265DTXSID201296191HMS2564H06STL426662AKOS000299213SMR000269960
Show more names
AB00113313-01SR-01000239798SR-01000239798-1
Database identifiers
- CAS
50891-30-0- PubChem CID
- 2907259
- DTXSID
DTXSID201296191- ChEMBL
CHEMBL1463265- Nikkaji
- J480.009E
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 92.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 323
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Related reactions
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Compound notes
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