(2-oxopiperidin-3-yl) 2-(2,6-dioxopiperidin-3-yl)acetate

C12H16N2O5 — CID 146096913

IUPAC(2-oxopiperidin-3-yl) 2-(2,6-dioxopiperidin-3-yl)acetate
SMILESO=C1CCC(CC(=O)OC2CCCNC2=O)C(=O)N1
InChIInChI=1S/C12H16N2O5/c15-9-4-3-7(11(17)14-9)6-10(16)19-8-2-1-5-13-12(8)18/h7-8H,1-6H2,(H,13,18)(H,14,15,17)
InChIKeyJKPXBHNYXVSXGV-UHFFFAOYSA-N
MW268.27 g/mol
LogP-0.75
Rot. Bonds3

About (2-oxopiperidin-3-yl) 2-(2,6-dioxopiperidin-3-yl)acetate

(2-oxopiperidin-3-yl) 2-(2,6-dioxopiperidin-3-yl)acetate (PubChem CID 146096913) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is (2-oxopiperidin-3-yl) 2-(2,6-dioxopiperidin-3-yl)acetate.

Molecular Properties

Compound Name(2-oxopiperidin-3-yl) 2-(2,6-dioxopiperidin-3-yl)acetate
PubChem CID146096913
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name(2-oxopiperidin-3-yl) 2-(2,6-dioxopiperidin-3-yl)acetate
SMILESO=C1CCC(CC(=O)OC2CCCNC2=O)C(=O)N1
InChIInChI=1S/C12H16N2O5/c15-9-4-3-7(11(17)14-9)6-10(16)19-8-2-1-5-13-12(8)18/h7-8H,1-6H2,(H,13,18)(H,14,15,17)
InChIKeyJKPXBHNYXVSXGV-UHFFFAOYSA-N
XLogP-0.75
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-oxopiperidin-3-yl) 2-(2,6-dioxopiperidin-3-yl)acetate?
The IUPAC name of (2-oxopiperidin-3-yl) 2-(2,6-dioxopiperidin-3-yl)acetate (CID 146096913) is (2-oxopiperidin-3-yl) 2-(2,6-dioxopiperidin-3-yl)acetate.
What is the SMILES notation for (2-oxopiperidin-3-yl) 2-(2,6-dioxopiperidin-3-yl)acetate?
The canonical SMILES for (2-oxopiperidin-3-yl) 2-(2,6-dioxopiperidin-3-yl)acetate is O=C1CCC(CC(=O)OC2CCCNC2=O)C(=O)N1.
What is the InChIKey of (2-oxopiperidin-3-yl) 2-(2,6-dioxopiperidin-3-yl)acetate?
The InChIKey is JKPXBHNYXVSXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5/c15-9-4-3-7(11(17)14-9)6-10(16)19-8-2-1-5-13-12(8)18/h7-8H,1-6H2,(H,13,18)(H,14,15,17).
What are the key properties of (2-oxopiperidin-3-yl) 2-(2,6-dioxopiperidin-3-yl)acetate?
(2-oxopiperidin-3-yl) 2-(2,6-dioxopiperidin-3-yl)acetate has a molecular weight of 268.27 g/mol, XLogP of -0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxopiperidin-3-yl) 2-(2,6-dioxopiperidin-3-yl)acetate is sourced from PubChem (CID 146096913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).