4-(2,6-dioxopiperidin-3-yl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione

C14H16N2O4 — CID 26516

IUPAC4-(2,6-dioxopiperidin-3-yl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
SMILESO=C1CCC(N2C(=O)C3C4CCC(C4)C3C2=O)C(=O)N1
InChIInChI=1S/C14H16N2O4/c17-9-4-3-8(12(18)15-9)16-13(19)10-6-1-2-7(5-6)11(10)14(16)20/h6-8,10-11H,1-5H2,(H,15,17,18)
InChIKeyURPJPYAYMWPUPR-UHFFFAOYSA-N
MW276.29 g/mol
LogP-0.18
Rot. Bonds1

About 4-(2,6-dioxopiperidin-3-yl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione

4-(2,6-dioxopiperidin-3-yl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione (PubChem CID 26516) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 4-(2,6-dioxopiperidin-3-yl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione.

Molecular Properties

Compound Name4-(2,6-dioxopiperidin-3-yl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
PubChem CID26516
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name4-(2,6-dioxopiperidin-3-yl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
SMILESO=C1CCC(N2C(=O)C3C4CCC(C4)C3C2=O)C(=O)N1
InChIInChI=1S/C14H16N2O4/c17-9-4-3-8(12(18)15-9)16-13(19)10-6-1-2-7(5-6)11(10)14(16)20/h6-8,10-11H,1-5H2,(H,15,17,18)
InChIKeyURPJPYAYMWPUPR-UHFFFAOYSA-N
XLogP-0.18
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dioxopiperidin-3-yl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
The IUPAC name of 4-(2,6-dioxopiperidin-3-yl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione (CID 26516) is 4-(2,6-dioxopiperidin-3-yl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione.
What is the SMILES notation for 4-(2,6-dioxopiperidin-3-yl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
The canonical SMILES for 4-(2,6-dioxopiperidin-3-yl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione is O=C1CCC(N2C(=O)C3C4CCC(C4)C3C2=O)C(=O)N1.
What is the InChIKey of 4-(2,6-dioxopiperidin-3-yl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
The InChIKey is URPJPYAYMWPUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c17-9-4-3-8(12(18)15-9)16-13(19)10-6-1-2-7(5-6)11(10)14(16)20/h6-8,10-11H,1-5H2,(H,15,17,18).
What are the key properties of 4-(2,6-dioxopiperidin-3-yl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
4-(2,6-dioxopiperidin-3-yl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione has a molecular weight of 276.29 g/mol, XLogP of -0.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dioxopiperidin-3-yl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione is sourced from PubChem (CID 26516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).