2-(2,6-dioxopiperidin-3-yl)-N-(phenylcarbamoyl)-1,3-dihydroisoindole-4-carboxamide

C21H20N4O4 — CID 67229967

IUPAC2-(2,6-dioxopiperidin-3-yl)-N-(phenylcarbamoyl)-1,3-dihydroisoindole-4-carboxamide
SMILESO=C1CCC(N2Cc3cccc(C(=O)NC(=O)Nc4ccccc4)c3C2)C(=O)N1
InChIInChI=1S/C21H20N4O4/c26-18-10-9-17(20(28)23-18)25-11-13-5-4-8-15(16(13)12-25)19(27)24-21(29)22-14-6-2-1-3-7-14/h1-8,17H,9-12H2,(H,23,26,28)(H2,22,24,27,29)
InChIKeyGTAWPKLACIYSSZ-UHFFFAOYSA-N
MW392.42 g/mol
LogP1.77
Rot. Bonds3

About 2-(2,6-dioxopiperidin-3-yl)-N-(phenylcarbamoyl)-1,3-dihydroisoindole-4-carboxamide

2-(2,6-dioxopiperidin-3-yl)-N-(phenylcarbamoyl)-1,3-dihydroisoindole-4-carboxamide (PubChem CID 67229967) has the molecular formula C21H20N4O4 and a molecular weight of 392.42 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-N-(phenylcarbamoyl)-1,3-dihydroisoindole-4-carboxamide.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-N-(phenylcarbamoyl)-1,3-dihydroisoindole-4-carboxamide
PubChem CID67229967
Molecular FormulaC21H20N4O4
Molecular Weight392.42 g/mol
Exact Mass392.15
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-N-(phenylcarbamoyl)-1,3-dihydroisoindole-4-carboxamide
SMILESO=C1CCC(N2Cc3cccc(C(=O)NC(=O)Nc4ccccc4)c3C2)C(=O)N1
InChIInChI=1S/C21H20N4O4/c26-18-10-9-17(20(28)23-18)25-11-13-5-4-8-15(16(13)12-25)19(27)24-21(29)22-14-6-2-1-3-7-14/h1-8,17H,9-12H2,(H,23,26,28)(H2,22,24,27,29)
InChIKeyGTAWPKLACIYSSZ-UHFFFAOYSA-N
XLogP1.77
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-chlorophenyl)carbamoyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-4-carboxamide
CID 67228934
2-(2,6-dioxopiperidin-3-yl)-N-(naphthalen-2-ylcarbamoyl)-1,3-dihydroisoindole-4-carboxamide
CID 67229489
N-[(4-chlorophenyl)carbamoyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide
CID 67023304
N-[(3,4-dimethylphenyl)carbamoyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide
CID 67023299
N-[(3,4-dichlorophenyl)carbamoyl]-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-4-carboxamide
CID 67230176
3-(4-propan-2-yl-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione
CID 130335320
N-[(2,4-dichlorophenyl)carbamoyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide
CID 67023326
3-[4-[2-(methylamino)ethylamino]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 175697338
3-[4-(3,6-diazabicyclo[3.1.1]heptan-6-ylmethyl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 175906632
3-[4-(3-aminopropoxy)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 175855337
3-[4-[[4-(chloromethyl)phenyl]methylamino]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 151513636
3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-4-carbonyl]amino]butanoic acid
CID 166426077

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-N-(phenylcarbamoyl)-1,3-dihydroisoindole-4-carboxamide?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-N-(phenylcarbamoyl)-1,3-dihydroisoindole-4-carboxamide (CID 67229967) is 2-(2,6-dioxopiperidin-3-yl)-N-(phenylcarbamoyl)-1,3-dihydroisoindole-4-carboxamide.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-N-(phenylcarbamoyl)-1,3-dihydroisoindole-4-carboxamide?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-N-(phenylcarbamoyl)-1,3-dihydroisoindole-4-carboxamide is O=C1CCC(N2Cc3cccc(C(=O)NC(=O)Nc4ccccc4)c3C2)C(=O)N1.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-N-(phenylcarbamoyl)-1,3-dihydroisoindole-4-carboxamide?
The InChIKey is GTAWPKLACIYSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4/c26-18-10-9-17(20(28)23-18)25-11-13-5-4-8-15(16(13)12-25)19(27)24-21(29)22-14-6-2-1-3-7-14/h1-8,17H,9-12H2,(H,23,26,28)(H2,22,24,27,29).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-N-(phenylcarbamoyl)-1,3-dihydroisoindole-4-carboxamide?
2-(2,6-dioxopiperidin-3-yl)-N-(phenylcarbamoyl)-1,3-dihydroisoindole-4-carboxamide has a molecular weight of 392.42 g/mol, XLogP of 1.77, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-N-(phenylcarbamoyl)-1,3-dihydroisoindole-4-carboxamide is sourced from PubChem (CID 67229967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).