2-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]amino]propanoyl iodide

C16H16IN3O4 — CID 156528080

IUPAC2-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]amino]propanoyl iodide
SMILESCC(Nc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2)C(=O)I
InChIInChI=1S/C16H16IN3O4/c1-8(14(17)22)18-10-3-2-9-7-20(16(24)11(9)6-10)12-4-5-13(21)19-15(12)23/h2-3,6,8,12,18H,4-5,7H2,1H3,(H,19,21,23)
InChIKeyCEOCDEYRONBCOD-UHFFFAOYSA-N
MW441.23 g/mol
LogP1.21
Rot. Bonds4

About 2-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]amino]propanoyl iodide

2-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]amino]propanoyl iodide (PubChem CID 156528080) has the molecular formula C16H16IN3O4 and a molecular weight of 441.23 g/mol. Its IUPAC name is 2-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]amino]propanoyl iodide.

Molecular Properties

Compound Name2-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]amino]propanoyl iodide
PubChem CID156528080
Molecular FormulaC16H16IN3O4
Molecular Weight441.23 g/mol
Exact Mass441.02
IUPAC Name2-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]amino]propanoyl iodide
SMILESCC(Nc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2)C(=O)I
InChIInChI=1S/C16H16IN3O4/c1-8(14(17)22)18-10-3-2-9-7-20(16(24)11(9)6-10)12-4-5-13(21)19-15(12)23/h2-3,6,8,12,18H,4-5,7H2,1H3,(H,19,21,23)
InChIKeyCEOCDEYRONBCOD-UHFFFAOYSA-N
XLogP1.21
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.23
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]amino]propanoyl iodide 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

N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-2,2-dimethylpropanamide
CID 166410779
N,N'-bis[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]propanediamide
CID 166027073
2-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]amino]-N-methylacetamide
CID 166074434
2-(dimethylamino)-N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]acetamide
CID 156502027
3-[3-oxo-5-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156502172
3-[5-[[2-(2-methylmorpholin-4-yl)-2-oxoethyl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156502771
ethane;3-(5-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 155599247
N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-4-methylbenzenesulfonamide
CID 164938613
3-[5-[[4-[(1R)-1-aminoethyl]anilino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167729505
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2,2-dimethylpropanamide
CID 176614145
3-[6-(2-methylpropanoyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 177251287
3-[5-(3,3-dihydroxyprop-1-ynyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166855452

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]amino]propanoyl iodide?
The IUPAC name of 2-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]amino]propanoyl iodide (CID 156528080) is 2-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]amino]propanoyl iodide.
What is the SMILES notation for 2-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]amino]propanoyl iodide?
The canonical SMILES for 2-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]amino]propanoyl iodide is CC(Nc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2)C(=O)I.
What is the InChIKey of 2-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]amino]propanoyl iodide?
The InChIKey is CEOCDEYRONBCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16IN3O4/c1-8(14(17)22)18-10-3-2-9-7-20(16(24)11(9)6-10)12-4-5-13(21)19-15(12)23/h2-3,6,8,12,18H,4-5,7H2,1H3,(H,19,21,23).
What are the key properties of 2-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]amino]propanoyl iodide?
2-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]amino]propanoyl iodide has a molecular weight of 441.23 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]amino]propanoyl iodide is sourced from PubChem (CID 156528080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).