5-hydroxy-2-nitro-N-piperidin-1-ylbenzamide

C12H15N3O4 — CID 107076391

IUPAC5-hydroxy-2-nitro-N-piperidin-1-ylbenzamide
SMILESO=C(NN1CCCCC1)c1cc(O)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H15N3O4/c16-9-4-5-11(15(18)19)10(8-9)12(17)13-14-6-2-1-3-7-14/h4-5,8,16H,1-3,6-7H2,(H,13,17)
InChIKeyMHYBFRNHTHHZDB-UHFFFAOYSA-N
MW265.27 g/mol
LogP1.43
Rot. Bonds3

About 5-hydroxy-2-nitro-N-piperidin-1-ylbenzamide

5-hydroxy-2-nitro-N-piperidin-1-ylbenzamide (PubChem CID 107076391) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 5-hydroxy-2-nitro-N-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name5-hydroxy-2-nitro-N-piperidin-1-ylbenzamide
PubChem CID107076391
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name5-hydroxy-2-nitro-N-piperidin-1-ylbenzamide
SMILESO=C(NN1CCCCC1)c1cc(O)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H15N3O4/c16-9-4-5-11(15(18)19)10(8-9)12(17)13-14-6-2-1-3-7-14/h4-5,8,16H,1-3,6-7H2,(H,13,17)
InChIKeyMHYBFRNHTHHZDB-UHFFFAOYSA-N
XLogP1.43
TPSA95.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-nitro-N-piperidin-1-ylbenzamide
CID 17163930
5-(ethylamino)-2-nitro-N-piperidin-1-ylbenzamide
CID 83016700
azepan-1-yl-(5-hydroxy-2-nitrophenyl)methanone
CID 102740374
5-hydroxy-2-nitro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 107076483
5-hydroxy-2-nitro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 102741535
4-fluoro-5-hydrazinyl-2-nitro-N-piperidin-1-ylbenzamide
CID 83016957
5-fluoro-N-(4-methylpiperazin-1-yl)-2-nitrobenzamide
CID 83014030
5-hydroxy-N',N'-dimethyl-2-nitrobenzohydrazide
CID 107076386
2-hydrazinyl-5-nitro-N-piperidin-1-ylbenzamide
CID 83024874
5-hydroxy-N-(1-methylpiperidin-3-yl)-2-nitrobenzamide
CID 102741361
5-hydroxy-N-(2-methylcycloheptyl)-2-nitrobenzamide
CID 107076139
N-but-3-ynyl-5-hydroxy-2-nitrobenzamide
CID 102741872

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-nitro-N-piperidin-1-ylbenzamide?
The IUPAC name of 5-hydroxy-2-nitro-N-piperidin-1-ylbenzamide (CID 107076391) is 5-hydroxy-2-nitro-N-piperidin-1-ylbenzamide.
What is the SMILES notation for 5-hydroxy-2-nitro-N-piperidin-1-ylbenzamide?
The canonical SMILES for 5-hydroxy-2-nitro-N-piperidin-1-ylbenzamide is O=C(NN1CCCCC1)c1cc(O)ccc1[N+](=O)[O-].
What is the InChIKey of 5-hydroxy-2-nitro-N-piperidin-1-ylbenzamide?
The InChIKey is MHYBFRNHTHHZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c16-9-4-5-11(15(18)19)10(8-9)12(17)13-14-6-2-1-3-7-14/h4-5,8,16H,1-3,6-7H2,(H,13,17).
What are the key properties of 5-hydroxy-2-nitro-N-piperidin-1-ylbenzamide?
5-hydroxy-2-nitro-N-piperidin-1-ylbenzamide has a molecular weight of 265.27 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-nitro-N-piperidin-1-ylbenzamide is sourced from PubChem (CID 107076391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).