5-nitro-6-(3-nitrophenyl)piperidin-2-one

C11H11N3O5 — CID 5130978

IUPAC5-nitro-6-(3-nitrophenyl)piperidin-2-one
SMILESO=C1CCC([N+](=O)[O-])C(c2cccc([N+](=O)[O-])c2)N1
InChIInChI=1S/C11H11N3O5/c15-10-5-4-9(14(18)19)11(12-10)7-2-1-3-8(6-7)13(16)17/h1-3,6,9,11H,4-5H2,(H,12,15)
InChIKeyHNPKDEDJNOBPTB-UHFFFAOYSA-N
MW265.23 g/mol
LogP1.19
Rot. Bonds3

About 5-nitro-6-(3-nitrophenyl)piperidin-2-one

5-nitro-6-(3-nitrophenyl)piperidin-2-one (PubChem CID 5130978) has the molecular formula C11H11N3O5 and a molecular weight of 265.23 g/mol. Its IUPAC name is 5-nitro-6-(3-nitrophenyl)piperidin-2-one.

Molecular Properties

Compound Name5-nitro-6-(3-nitrophenyl)piperidin-2-one
PubChem CID5130978
Molecular FormulaC11H11N3O5
Molecular Weight265.23 g/mol
Exact Mass265.07
IUPAC Name5-nitro-6-(3-nitrophenyl)piperidin-2-one
SMILESO=C1CCC([N+](=O)[O-])C(c2cccc([N+](=O)[O-])c2)N1
InChIInChI=1S/C11H11N3O5/c15-10-5-4-9(14(18)19)11(12-10)7-2-1-3-8(6-7)13(16)17/h1-3,6,9,11H,4-5H2,(H,12,15)
InChIKeyHNPKDEDJNOBPTB-UHFFFAOYSA-N
XLogP1.19
TPSA115.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 51.19
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 5-nitro-6-(3-nitrophenyl)piperidin-2-one?
The IUPAC name of 5-nitro-6-(3-nitrophenyl)piperidin-2-one (CID 5130978) is 5-nitro-6-(3-nitrophenyl)piperidin-2-one.
What is the SMILES notation for 5-nitro-6-(3-nitrophenyl)piperidin-2-one?
The canonical SMILES for 5-nitro-6-(3-nitrophenyl)piperidin-2-one is O=C1CCC([N+](=O)[O-])C(c2cccc([N+](=O)[O-])c2)N1.
What is the InChIKey of 5-nitro-6-(3-nitrophenyl)piperidin-2-one?
The InChIKey is HNPKDEDJNOBPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O5/c15-10-5-4-9(14(18)19)11(12-10)7-2-1-3-8(6-7)13(16)17/h1-3,6,9,11H,4-5H2,(H,12,15).
What are the key properties of 5-nitro-6-(3-nitrophenyl)piperidin-2-one?
5-nitro-6-(3-nitrophenyl)piperidin-2-one has a molecular weight of 265.23 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-6-(3-nitrophenyl)piperidin-2-one is sourced from PubChem (CID 5130978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).