2-nitro-N-piperidin-1-ylbenzamide

C12H15N3O3 — CID 17163930

IUPAC2-nitro-N-piperidin-1-ylbenzamide
SMILESO=C(NN1CCCCC1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C12H15N3O3/c16-12(13-14-8-4-1-5-9-14)10-6-2-3-7-11(10)15(17)18/h2-3,6-7H,1,4-5,8-9H2,(H,13,16)
InChIKeyMAVUNAZHNILWGV-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.73
Rot. Bonds3

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

2-nitro-N-piperidin-1-ylbenzamide (PubChem CID 17163930) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-nitro-N-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name2-nitro-N-piperidin-1-ylbenzamide
PubChem CID17163930
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name2-nitro-N-piperidin-1-ylbenzamide
SMILESO=C(NN1CCCCC1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C12H15N3O3/c16-12(13-14-8-4-1-5-9-14)10-6-2-3-7-11(10)15(17)18/h2-3,6-7H,1,4-5,8-9H2,(H,13,16)
InChIKeyMAVUNAZHNILWGV-UHFFFAOYSA-N
XLogP1.73
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

5-hydroxy-2-nitro-N-piperidin-1-ylbenzamide
CID 107076391
N-(3-benzhydrylpiperidin-1-yl)-2-nitrobenzamide
CID 18381923
5-(ethylamino)-2-nitro-N-piperidin-1-ylbenzamide
CID 83016700
2-nitro-N-[(1S)-2,2,2-trichloro-1-piperidin-1-ylethyl]benzamide
CID 1204588
2-nitro-N-(1,2,4-triazol-4-yl)benzamide
CID 4289399
2-nitro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 5181244
2-nitro-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
CID 925691
2-nitro-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide
CID 94671216
N-(1,3-dihydroisoindol-2-yl)-2-hydroxy-3-nitrobenzamide
CID 97087687
benzene;2-nitrobenzoic acid
CID 19891435
4-fluoro-5-hydrazinyl-2-nitro-N-piperidin-1-ylbenzamide
CID 83016957
2-hydrazinyl-5-nitro-N-piperidin-1-ylbenzamide
CID 83024874

Frequently Asked Questions

What is the IUPAC name of 2-nitro-N-piperidin-1-ylbenzamide?
The IUPAC name of 2-nitro-N-piperidin-1-ylbenzamide (CID 17163930) is 2-nitro-N-piperidin-1-ylbenzamide.
What is the SMILES notation for 2-nitro-N-piperidin-1-ylbenzamide?
The canonical SMILES for 2-nitro-N-piperidin-1-ylbenzamide is O=C(NN1CCCCC1)c1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-nitro-N-piperidin-1-ylbenzamide?
The InChIKey is MAVUNAZHNILWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c16-12(13-14-8-4-1-5-9-14)10-6-2-3-7-11(10)15(17)18/h2-3,6-7H,1,4-5,8-9H2,(H,13,16).
What are the key properties of 2-nitro-N-piperidin-1-ylbenzamide?
2-nitro-N-piperidin-1-ylbenzamide has a molecular weight of 249.27 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-N-piperidin-1-ylbenzamide is sourced from PubChem (CID 17163930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).