3-[5-[[2-(2-methylmorpholin-4-yl)-2-oxoethyl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C20H24N4O5 — CID 156502771

IUPAC3-[5-[[2-(2-methylmorpholin-4-yl)-2-oxoethyl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCC1CN(C(=O)CNc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3)CCO1
InChIInChI=1S/C20H24N4O5/c1-12-10-23(6-7-29-12)18(26)9-21-14-3-2-13-11-24(20(28)15(13)8-14)16-4-5-17(25)22-19(16)27/h2-3,8,12,16,21H,4-7,9-11H2,1H3,(H,22,25,27)
InChIKeyWAJDSGCFQXUVTQ-UHFFFAOYSA-N
MW400.44 g/mol
LogP0.11
Rot. Bonds4

About 3-[5-[[2-(2-methylmorpholin-4-yl)-2-oxoethyl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[5-[[2-(2-methylmorpholin-4-yl)-2-oxoethyl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 156502771) has the molecular formula C20H24N4O5 and a molecular weight of 400.44 g/mol. Its IUPAC name is 3-[5-[[2-(2-methylmorpholin-4-yl)-2-oxoethyl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[5-[[2-(2-methylmorpholin-4-yl)-2-oxoethyl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID156502771
Molecular FormulaC20H24N4O5
Molecular Weight400.44 g/mol
Exact Mass400.17
IUPAC Name3-[5-[[2-(2-methylmorpholin-4-yl)-2-oxoethyl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCC1CN(C(=O)CNc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3)CCO1
InChIInChI=1S/C20H24N4O5/c1-12-10-23(6-7-29-12)18(26)9-21-14-3-2-13-11-24(20(28)15(13)8-14)16-4-5-17(25)22-19(16)27/h2-3,8,12,16,21H,4-7,9-11H2,1H3,(H,22,25,27)
InChIKeyWAJDSGCFQXUVTQ-UHFFFAOYSA-N
XLogP0.11
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[5-[[2-(2-methylmorpholin-4-yl)-2-oxoethyl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione with MolForge

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Launch Full Analysis

Related Compounds

3-[3-oxo-5-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156502172
2-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]amino]-N-methylacetamide
CID 166074434
2-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]amino]propanoyl iodide
CID 156528080
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-(dimethylamino)-N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]acetamide
CID 156502027
tert-butyl 4-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]piperidine-1-carboxylate
CID 171098309
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-methylpiperidine-1-carboxamide
CID 176766864
2-(2,6-dioxopiperidin-3-yl)-5-[(2-oxo-2-piperidin-1-ylethyl)amino]isoindole-1,3-dione
CID 175943061
3-[5-[4-[7-(difluoromethyl)-1,4-oxazepane-4-carbonyl]triazol-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167803535
2-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]amino]-N-[[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethylamino]phenyl]methyl]acetamide
CID 156527858
3-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carbonyl]amino]-2,2-dimethylpropanoic acid
CID 166426009

Frequently Asked Questions

What is the IUPAC name of 3-[5-[[2-(2-methylmorpholin-4-yl)-2-oxoethyl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[5-[[2-(2-methylmorpholin-4-yl)-2-oxoethyl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 156502771) is 3-[5-[[2-(2-methylmorpholin-4-yl)-2-oxoethyl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[5-[[2-(2-methylmorpholin-4-yl)-2-oxoethyl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[5-[[2-(2-methylmorpholin-4-yl)-2-oxoethyl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is CC1CN(C(=O)CNc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3)CCO1.
What is the InChIKey of 3-[5-[[2-(2-methylmorpholin-4-yl)-2-oxoethyl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is WAJDSGCFQXUVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O5/c1-12-10-23(6-7-29-12)18(26)9-21-14-3-2-13-11-24(20(28)15(13)8-14)16-4-5-17(25)22-19(16)27/h2-3,8,12,16,21H,4-7,9-11H2,1H3,(H,22,25,27).
What are the key properties of 3-[5-[[2-(2-methylmorpholin-4-yl)-2-oxoethyl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[5-[[2-(2-methylmorpholin-4-yl)-2-oxoethyl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 400.44 g/mol, XLogP of 0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[[2-(2-methylmorpholin-4-yl)-2-oxoethyl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 156502771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).