ethane;2-(1-methylpiperidin-4-yl)isoindole-1,3-dione

C20H34N2O2 — CID 90979720

IUPACethane;2-(1-methylpiperidin-4-yl)isoindole-1,3-dione
SMILESCC.CC.CC.CN1CCC(N2C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C14H16N2O2.3C2H6/c1-15-8-6-10(7-9-15)16-13(17)11-4-2-3-5-12(11)14(16)18;3*1-2/h2-5,10H,6-9H2,1H3;3*1-2H3
InChIKeyZUMVFXDKGJADLS-UHFFFAOYSA-N
MW334.50 g/mol
LogP4.46
Rot. Bonds1

About ethane;2-(1-methylpiperidin-4-yl)isoindole-1,3-dione

ethane;2-(1-methylpiperidin-4-yl)isoindole-1,3-dione (PubChem CID 90979720) has the molecular formula C20H34N2O2 and a molecular weight of 334.50 g/mol. Its IUPAC name is ethane;2-(1-methylpiperidin-4-yl)isoindole-1,3-dione.

Molecular Properties

Compound Nameethane;2-(1-methylpiperidin-4-yl)isoindole-1,3-dione
PubChem CID90979720
Molecular FormulaC20H34N2O2
Molecular Weight334.50 g/mol
Exact Mass334.26
IUPAC Nameethane;2-(1-methylpiperidin-4-yl)isoindole-1,3-dione
SMILESCC.CC.CC.CN1CCC(N2C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C14H16N2O2.3C2H6/c1-15-8-6-10(7-9-15)16-13(17)11-4-2-3-5-12(11)14(16)18;3*1-2/h2-5,10H,6-9H2,1H3;3*1-2H3
InChIKeyZUMVFXDKGJADLS-UHFFFAOYSA-N
XLogP4.46
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.50
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethane;2-(1-methylpiperidin-4-yl)isoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-methylpiperidin-4-yl)indole-2,3-dione
CID 168796503
2-cyclodecylisoindole-1,3-dione
CID 123786237
6-(methylamino)-2-(1-methylpiperidin-4-yl)benzo[de]isoquinoline-1,3-dione
CID 19769371
3-(1-methylpiperidin-4-yl)-5-phenylimidazolidine-2,4-dione
CID 84571197
[4-(1,3-dioxoisoindol-2-yl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 175267602
2-[1-(2-ethylbutanoyl)piperidin-4-yl]isoindole-1,3-dione
CID 113082500
2-[1-(2-methylbenzoyl)piperidin-4-yl]isoindole-1,3-dione
CID 113082504
4-(1,3-dioxoisoindol-2-yl)cyclohexane-1-carbaldehyde
CID 173386618
2-(1-propanoylpyrrolidin-3-yl)isoindole-1,3-dione
CID 113082746
ethane;2-(2-methyl-1,3-dioxan-5-yl)isoindole-1,3-dione
CID 176963407
2-cyclohexylisoindole-1,3-dione;iodozinc(1+)
CID 87664820
2-[2-(1,3-dioxoisoindol-2-yl)cyclohexyl]isoindole-1,3-dione
CID 2911337

Frequently Asked Questions

What is the IUPAC name of ethane;2-(1-methylpiperidin-4-yl)isoindole-1,3-dione?
The IUPAC name of ethane;2-(1-methylpiperidin-4-yl)isoindole-1,3-dione (CID 90979720) is ethane;2-(1-methylpiperidin-4-yl)isoindole-1,3-dione.
What is the SMILES notation for ethane;2-(1-methylpiperidin-4-yl)isoindole-1,3-dione?
The canonical SMILES for ethane;2-(1-methylpiperidin-4-yl)isoindole-1,3-dione is CC.CC.CC.CN1CCC(N2C(=O)c3ccccc3C2=O)CC1.
What is the InChIKey of ethane;2-(1-methylpiperidin-4-yl)isoindole-1,3-dione?
The InChIKey is ZUMVFXDKGJADLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2.3C2H6/c1-15-8-6-10(7-9-15)16-13(17)11-4-2-3-5-12(11)14(16)18;3*1-2/h2-5,10H,6-9H2,1H3;3*1-2H3.
What are the key properties of ethane;2-(1-methylpiperidin-4-yl)isoindole-1,3-dione?
ethane;2-(1-methylpiperidin-4-yl)isoindole-1,3-dione has a molecular weight of 334.50 g/mol, XLogP of 4.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(1-methylpiperidin-4-yl)isoindole-1,3-dione is sourced from PubChem (CID 90979720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).