2-(2,6-dioxopiperidin-3-yl)-4-methyliodanuidylisoindole-1,3-dione

C14H12IN2O4- — CID 156883025

IUPAC2-(2,6-dioxopiperidin-3-yl)-4-methyliodanuidylisoindole-1,3-dione
SMILESC[I-]c1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C14H12IN2O4/c1-15-8-4-2-3-7-11(8)14(21)17(13(7)20)9-5-6-10(18)16-12(9)19/h2-4,9H,5-6H2,1H3,(H,16,18,19)/q-1
InChIKeyRLFKXWWHJKPUTA-UHFFFAOYSA-N
MW399.16 g/mol
LogP-3.02
Rot. Bonds2

About 2-(2,6-dioxopiperidin-3-yl)-4-methyliodanuidylisoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-4-methyliodanuidylisoindole-1,3-dione (PubChem CID 156883025) has the molecular formula C14H12IN2O4- and a molecular weight of 399.16 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-4-methyliodanuidylisoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-4-methyliodanuidylisoindole-1,3-dione
PubChem CID156883025
Molecular FormulaC14H12IN2O4-
Molecular Weight399.16 g/mol
Exact Mass398.98
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-4-methyliodanuidylisoindole-1,3-dione
SMILESC[I-]c1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C14H12IN2O4/c1-15-8-4-2-3-7-11(8)14(21)17(13(7)20)9-5-6-10(18)16-12(9)19/h2-4,9H,5-6H2,1H3,(H,16,18,19)/q-1
InChIKeyRLFKXWWHJKPUTA-UHFFFAOYSA-N
XLogP-3.02
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.16
LogP ≤ 5-3.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2,6-dioxopiperidin-3-yl)-4-methyliodanuidylisoindole-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

4-tert-butyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 134488749
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 71499176
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methanamine
CID 160955629
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620
2-(2,6-dioxo(115N)azinan-3-yl)isoindole-1,3-dione
CID 46898665
2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione
CID 46898587
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 161120100
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;dihydrate
CID 135349767
4-(chloromethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 168870811
2-[(3R)-2,6-dioxopiperidin-3-yl]-4-(methylamino)isoindole-1,3-dione
CID 139441450
2-(2,6-dioxopiperidin-3-yl)-4-methoxyisoindole-1,3-dione
CID 158666282
2-(2,6-dioxopiperidin-3-yl)-4-methylsulfonylisoindole-1,3-dione
CID 150998829

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-methyliodanuidylisoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-methyliodanuidylisoindole-1,3-dione (CID 156883025) is 2-(2,6-dioxopiperidin-3-yl)-4-methyliodanuidylisoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-4-methyliodanuidylisoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-4-methyliodanuidylisoindole-1,3-dione is C[I-]c1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-4-methyliodanuidylisoindole-1,3-dione?
The InChIKey is RLFKXWWHJKPUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12IN2O4/c1-15-8-4-2-3-7-11(8)14(21)17(13(7)20)9-5-6-10(18)16-12(9)19/h2-4,9H,5-6H2,1H3,(H,16,18,19)/q-1.
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-4-methyliodanuidylisoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-4-methyliodanuidylisoindole-1,3-dione has a molecular weight of 399.16 g/mol, XLogP of -3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-4-methyliodanuidylisoindole-1,3-dione is sourced from PubChem (CID 156883025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).