N-(2,6-dioxopiperidin-3-yl)-4-nitrobenzamide

C12H11N3O5 — CID 10378768

IUPACN-(2,6-dioxopiperidin-3-yl)-4-nitrobenzamide
SMILESO=C1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)N1
InChIInChI=1S/C12H11N3O5/c16-10-6-5-9(12(18)14-10)13-11(17)7-1-3-8(4-2-7)15(19)20/h1-4,9H,5-6H2,(H,13,17)(H,14,16,18)
InChIKeyJOPHGTNZVHMBAS-UHFFFAOYSA-N
MW277.24 g/mol
LogP0.13
Rot. Bonds3

About N-(2,6-dioxopiperidin-3-yl)-4-nitrobenzamide

N-(2,6-dioxopiperidin-3-yl)-4-nitrobenzamide (PubChem CID 10378768) has the molecular formula C12H11N3O5 and a molecular weight of 277.24 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-4-nitrobenzamide.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-4-nitrobenzamide
PubChem CID10378768
Molecular FormulaC12H11N3O5
Molecular Weight277.24 g/mol
Exact Mass277.07
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-4-nitrobenzamide
SMILESO=C1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)N1
InChIInChI=1S/C12H11N3O5/c16-10-6-5-9(12(18)14-10)13-11(17)7-1-3-8(4-2-7)15(19)20/h1-4,9H,5-6H2,(H,13,17)(H,14,16,18)
InChIKeyJOPHGTNZVHMBAS-UHFFFAOYSA-N
XLogP0.13
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 50.13
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'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-4-nitrobenzamide?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-4-nitrobenzamide (CID 10378768) is N-(2,6-dioxopiperidin-3-yl)-4-nitrobenzamide.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-4-nitrobenzamide?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-4-nitrobenzamide is O=C1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)N1.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-4-nitrobenzamide?
The InChIKey is JOPHGTNZVHMBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O5/c16-10-6-5-9(12(18)14-10)13-11(17)7-1-3-8(4-2-7)15(19)20/h1-4,9H,5-6H2,(H,13,17)(H,14,16,18).
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-4-nitrobenzamide?
N-(2,6-dioxopiperidin-3-yl)-4-nitrobenzamide has a molecular weight of 277.24 g/mol, XLogP of 0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxopiperidin-3-yl)-4-nitrobenzamide is sourced from PubChem (CID 10378768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).