3-(4-iodo-1-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione

C14H13IN2O3 — CID 156528333

IUPAC3-(4-iodo-1-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
SMILESCC1c2cccc(I)c2C(=O)N1C1CCC(=O)NC1=O
InChIInChI=1S/C14H13IN2O3/c1-7-8-3-2-4-9(15)12(8)14(20)17(7)10-5-6-11(18)16-13(10)19/h2-4,7,10H,5-6H2,1H3,(H,16,18,19)
InChIKeyDORMWJWZZNHTRI-UHFFFAOYSA-N
MW384.17 g/mol
LogP1.61
Rot. Bonds1

About 3-(4-iodo-1-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione

3-(4-iodo-1-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione (PubChem CID 156528333) has the molecular formula C14H13IN2O3 and a molecular weight of 384.17 g/mol. Its IUPAC name is 3-(4-iodo-1-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(4-iodo-1-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
PubChem CID156528333
Molecular FormulaC14H13IN2O3
Molecular Weight384.17 g/mol
Exact Mass384.00
IUPAC Name3-(4-iodo-1-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
SMILESCC1c2cccc(I)c2C(=O)N1C1CCC(=O)NC1=O
InChIInChI=1S/C14H13IN2O3/c1-7-8-3-2-4-9(15)12(8)14(20)17(7)10-5-6-11(18)16-13(10)19/h2-4,7,10H,5-6H2,1H3,(H,16,18,19)
InChIKeyDORMWJWZZNHTRI-UHFFFAOYSA-N
XLogP1.61
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.17
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(4-iodo-1-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-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

3-(7-fluoro-1-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 176695414
3-(5-methoxy-1-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 139483267
3-(1-methyl-3-oxo-6-propan-2-yl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 163222672
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-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 161120100
2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione
CID 46898587
4-cyclopentyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 146547456
5-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]oxy]pentanoic acid
CID 154672093
2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-4-sulfonamide
CID 154689780
2-(2,6-dioxopiperidin-3-yl)-4-methylsulfonylisoindole-1,3-dione
CID 150998829
tert-butyl N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]amino]ethyl]carbamate
CID 162432113

Frequently Asked Questions

What is the IUPAC name of 3-(4-iodo-1-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
The IUPAC name of 3-(4-iodo-1-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione (CID 156528333) is 3-(4-iodo-1-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(4-iodo-1-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(4-iodo-1-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione is CC1c2cccc(I)c2C(=O)N1C1CCC(=O)NC1=O.
What is the InChIKey of 3-(4-iodo-1-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
The InChIKey is DORMWJWZZNHTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13IN2O3/c1-7-8-3-2-4-9(15)12(8)14(20)17(7)10-5-6-11(18)16-13(10)19/h2-4,7,10H,5-6H2,1H3,(H,16,18,19).
What are the key properties of 3-(4-iodo-1-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
3-(4-iodo-1-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione has a molecular weight of 384.17 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-iodo-1-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 156528333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).