3-[4-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]isoindol-2-yl]piperidine-2,6-dione

C19H24N6O4 — CID 155680726

IUPAC3-[4-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]isoindol-2-yl]piperidine-2,6-dione
SMILES[N-]=[N+]=NCCOCCOCCNc1cccc2cn(C3CCC(=O)NC3=O)cc12
InChIInChI=1S/C19H24N6O4/c20-24-22-7-9-29-11-10-28-8-6-21-16-3-1-2-14-12-25(13-15(14)16)17-4-5-18(26)23-19(17)27/h1-3,12-13,17,21H,4-11H2,(H,23,26,27)
InChIKeyKDHLCTLGMJPUSZ-UHFFFAOYSA-N
MW400.44 g/mol
LogP2.37
Rot. Bonds11

About 3-[4-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]isoindol-2-yl]piperidine-2,6-dione

3-[4-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]isoindol-2-yl]piperidine-2,6-dione (PubChem CID 155680726) has the molecular formula C19H24N6O4 and a molecular weight of 400.44 g/mol. Its IUPAC name is 3-[4-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]isoindol-2-yl]piperidine-2,6-dione
PubChem CID155680726
Molecular FormulaC19H24N6O4
Molecular Weight400.44 g/mol
Exact Mass400.19
IUPAC Name3-[4-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]isoindol-2-yl]piperidine-2,6-dione
SMILES[N-]=[N+]=NCCOCCOCCNc1cccc2cn(C3CCC(=O)NC3=O)cc12
InChIInChI=1S/C19H24N6O4/c20-24-22-7-9-29-11-10-28-8-6-21-16-3-1-2-14-12-25(13-15(14)16)17-4-5-18(26)23-19(17)27/h1-3,12-13,17,21H,4-11H2,(H,23,26,27)
InChIKeyKDHLCTLGMJPUSZ-UHFFFAOYSA-N
XLogP2.37
TPSA130.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-[4-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]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-[8-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]-1-oxophthalazin-2-yl]piperidine-2,6-dione
CID 166142063
3-[7-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 150748364
1-[2-[2-(2-azidoethoxy)ethoxy]ethyl]-3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]urea
CID 169161518
3-(4-fluoroisoindol-2-yl)piperidine-2,6-dione
CID 150148571
2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-(methylideneamino)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione
CID 163291766
3-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanamide
CID 146673338
N-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-4-carboxamide
CID 169451042
N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-N'-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-2-methylidenebutanediamide
CID 156769887
4-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 139593569
3-[2-(2-azidoethoxy)ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propanamide
CID 155292305
3-[8-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethylamino]-1-oxophthalazin-2-yl]piperidine-2,6-dione
CID 170209294
N-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carboxamide
CID 172937040

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[4-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]isoindol-2-yl]piperidine-2,6-dione (CID 155680726) is 3-[4-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[4-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]isoindol-2-yl]piperidine-2,6-dione is [N-]=[N+]=NCCOCCOCCNc1cccc2cn(C3CCC(=O)NC3=O)cc12.
What is the InChIKey of 3-[4-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is KDHLCTLGMJPUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O4/c20-24-22-7-9-29-11-10-28-8-6-21-16-3-1-2-14-12-25(13-15(14)16)17-4-5-18(26)23-19(17)27/h1-3,12-13,17,21H,4-11H2,(H,23,26,27).
What are the key properties of 3-[4-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]isoindol-2-yl]piperidine-2,6-dione?
3-[4-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 400.44 g/mol, XLogP of 2.37, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 155680726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).