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

C19H21N5O5 — CID 155292156

IUPAC4-(6-azidohexoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILES[N-]=[N+]=NCCCCCCOc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C19H21N5O5/c20-23-21-10-3-1-2-4-11-29-14-7-5-6-12-16(14)19(28)24(18(12)27)13-8-9-15(25)22-17(13)26/h5-7,13H,1-4,8-11H2,(H,22,25,26)
InChIKeyLAINMOUUNLUPGJ-UHFFFAOYSA-N
MW399.41 g/mol
LogP2.34
Rot. Bonds9

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

4-(6-azidohexoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 155292156) has the molecular formula C19H21N5O5 and a molecular weight of 399.41 g/mol. Its IUPAC name is 4-(6-azidohexoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-(6-azidohexoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
PubChem CID155292156
Molecular FormulaC19H21N5O5
Molecular Weight399.41 g/mol
Exact Mass399.15
IUPAC Name4-(6-azidohexoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILES[N-]=[N+]=NCCCCCCOc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C19H21N5O5/c20-23-21-10-3-1-2-4-11-29-14-7-5-6-12-16(14)19(28)24(18(12)27)13-8-9-15(25)22-17(13)26/h5-7,13H,1-4,8-11H2,(H,22,25,26)
InChIKeyLAINMOUUNLUPGJ-UHFFFAOYSA-N
XLogP2.34
TPSA141.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.41
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 4-(6-azidohexoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(6-azidohexoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The IUPAC name of 4-(6-azidohexoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 155292156) is 4-(6-azidohexoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 4-(6-azidohexoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The canonical SMILES for 4-(6-azidohexoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is [N-]=[N+]=NCCCCCCOc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 4-(6-azidohexoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The InChIKey is LAINMOUUNLUPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O5/c20-23-21-10-3-1-2-4-11-29-14-7-5-6-12-16(14)19(28)24(18(12)27)13-8-9-15(25)22-17(13)26/h5-7,13H,1-4,8-11H2,(H,22,25,26).
What are the key properties of 4-(6-azidohexoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
4-(6-azidohexoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 399.41 g/mol, XLogP of 2.34, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-azidohexoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 155292156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).