4-amino-2-(3-benzyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C20H17N3O4 — CID 166923781

IUPAC4-amino-2-(3-benzyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESNc1cccc2c1C(=O)N(C1(Cc3ccccc3)CCC(=O)NC1=O)C2=O
InChIInChI=1S/C20H17N3O4/c21-14-8-4-7-13-16(14)18(26)23(17(13)25)20(10-9-15(24)22-19(20)27)11-12-5-2-1-3-6-12/h1-8H,9-11,21H2,(H,22,24,27)
InChIKeyGWLRWURDRMDBHS-UHFFFAOYSA-N
MW363.37 g/mol
LogP1.28
Rot. Bonds3

About 4-amino-2-(3-benzyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

4-amino-2-(3-benzyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 166923781) has the molecular formula C20H17N3O4 and a molecular weight of 363.37 g/mol. Its IUPAC name is 4-amino-2-(3-benzyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-amino-2-(3-benzyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
PubChem CID166923781
Molecular FormulaC20H17N3O4
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC Name4-amino-2-(3-benzyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESNc1cccc2c1C(=O)N(C1(Cc3ccccc3)CCC(=O)NC1=O)C2=O
InChIInChI=1S/C20H17N3O4/c21-14-8-4-7-13-16(14)18(26)23(17(13)25)20(10-9-15(24)22-19(20)27)11-12-5-2-1-3-6-12/h1-8H,9-11,21H2,(H,22,24,27)
InChIKeyGWLRWURDRMDBHS-UHFFFAOYSA-N
XLogP1.28
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-benzyl-2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dione
CID 166923724
4-amino-2-[3-(4-aminobutyl)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione;hydrochloride
CID 67997624
2-(3-benzyl-2,6-dioxopiperidin-3-yl)-4-hydroxy-5-(1H-pyrazol-4-yl)isoindole-1,3-dione
CID 166923902
4-amino-2-[(3S)-2,6-dioxo-3-(trideuteriomethyl)piperidin-3-yl]isoindole-1,3-dione
CID 140915010
benzyl N-[[3-(1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-3-yl]methyl]carbamate
CID 58572152
N-[[3-(4-acetamido-1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-3-yl]methyl]acetamide
CID 58572144
4-amino-2-(1-methylcyclopentyl)isoindole-1,3-dione
CID 64686613
3-(4-aminobutyl)-3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;hydrochloride
CID 67997669
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 71499176
ethane;2-(3-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 163267686
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;dihydrate
CID 135349767
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

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(3-benzyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The IUPAC name of 4-amino-2-(3-benzyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 166923781) is 4-amino-2-(3-benzyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 4-amino-2-(3-benzyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The canonical SMILES for 4-amino-2-(3-benzyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is Nc1cccc2c1C(=O)N(C1(Cc3ccccc3)CCC(=O)NC1=O)C2=O.
What is the InChIKey of 4-amino-2-(3-benzyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The InChIKey is GWLRWURDRMDBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4/c21-14-8-4-7-13-16(14)18(26)23(17(13)25)20(10-9-15(24)22-19(20)27)11-12-5-2-1-3-6-12/h1-8H,9-11,21H2,(H,22,24,27).
What are the key properties of 4-amino-2-(3-benzyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
4-amino-2-(3-benzyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 363.37 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(3-benzyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 166923781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).