3-(1,3-dioxo-4H-naphthalen-2-yl)piperidine-2,6-dione;ethane

C17H19NO4 — CID 144947853

IUPAC3-(1,3-dioxo-4H-naphthalen-2-yl)piperidine-2,6-dione;ethane
SMILESCC.O=C1CCC(C2C(=O)Cc3ccccc3C2=O)C(=O)N1
InChIInChI=1S/C15H13NO4.C2H6/c17-11-7-8-3-1-2-4-9(8)14(19)13(11)10-5-6-12(18)16-15(10)20;1-2/h1-4,10,13H,5-7H2,(H,16,18,20);1-2H3
InChIKeyXLROUAHWNFXFOM-UHFFFAOYSA-N
MW301.34 g/mol
LogP1.69
Rot. Bonds1

About 3-(1,3-dioxo-4H-naphthalen-2-yl)piperidine-2,6-dione;ethane

3-(1,3-dioxo-4H-naphthalen-2-yl)piperidine-2,6-dione;ethane (PubChem CID 144947853) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is 3-(1,3-dioxo-4H-naphthalen-2-yl)piperidine-2,6-dione;ethane.

Molecular Properties

Compound Name3-(1,3-dioxo-4H-naphthalen-2-yl)piperidine-2,6-dione;ethane
PubChem CID144947853
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Name3-(1,3-dioxo-4H-naphthalen-2-yl)piperidine-2,6-dione;ethane
SMILESCC.O=C1CCC(C2C(=O)Cc3ccccc3C2=O)C(=O)N1
InChIInChI=1S/C15H13NO4.C2H6/c17-11-7-8-3-1-2-4-9(8)14(19)13(11)10-5-6-12(18)16-15(10)20;1-2/h1-4,10,13H,5-7H2,(H,16,18,20);1-2H3
InChIKeyXLROUAHWNFXFOM-UHFFFAOYSA-N
XLogP1.69
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(4-methyl-1,3-dioxoinden-2-yl)piperidine-2,6-dione
CID 166872046
3-[2-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)ethyl]piperidine-2,6-dione
CID 91165365
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620
4,4a,9,9a-tetrahydro-3H-anthracene-1,2,10-trione
CID 123667942
3-[4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-1,3-dioxoinden-2-yl]piperidine-2,6-dione
CID 172516805
2-(2-oxocyclobutyl)-3,4-dihydro-2H-naphthalen-1-one
CID 13419689
ethane;4H-isoquinoline-1,3-dione
CID 91307302
3-[1,3-dioxo-4-(piperidin-4-ylmethylamino)inden-2-yl]piperidine-2,6-dione
CID 166982721
methylazanium;3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 155746155
4-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)cyclohexane-1,3-dione
CID 163897709
3-(3-methylidene-1H-isoindol-2-yl)piperidine-2,6-dione
CID 165027847
2-(2,6-dioxo(115N)azinan-3-yl)isoindole-1,3-dione
CID 46898665

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxo-4H-naphthalen-2-yl)piperidine-2,6-dione;ethane?
The IUPAC name of 3-(1,3-dioxo-4H-naphthalen-2-yl)piperidine-2,6-dione;ethane (CID 144947853) is 3-(1,3-dioxo-4H-naphthalen-2-yl)piperidine-2,6-dione;ethane.
What is the SMILES notation for 3-(1,3-dioxo-4H-naphthalen-2-yl)piperidine-2,6-dione;ethane?
The canonical SMILES for 3-(1,3-dioxo-4H-naphthalen-2-yl)piperidine-2,6-dione;ethane is CC.O=C1CCC(C2C(=O)Cc3ccccc3C2=O)C(=O)N1.
What is the InChIKey of 3-(1,3-dioxo-4H-naphthalen-2-yl)piperidine-2,6-dione;ethane?
The InChIKey is XLROUAHWNFXFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4.C2H6/c17-11-7-8-3-1-2-4-9(8)14(19)13(11)10-5-6-12(18)16-15(10)20;1-2/h1-4,10,13H,5-7H2,(H,16,18,20);1-2H3.
What are the key properties of 3-(1,3-dioxo-4H-naphthalen-2-yl)piperidine-2,6-dione;ethane?
3-(1,3-dioxo-4H-naphthalen-2-yl)piperidine-2,6-dione;ethane has a molecular weight of 301.34 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxo-4H-naphthalen-2-yl)piperidine-2,6-dione;ethane is sourced from PubChem (CID 144947853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).