4-(5-azidopentoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C18H19N5O5 — CID 155292155

IUPAC4-(5-azidopentoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILES[N-]=[N+]=NCCCCCOc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C18H19N5O5/c19-22-20-9-2-1-3-10-28-13-6-4-5-11-15(13)18(27)23(17(11)26)12-7-8-14(24)21-16(12)25/h4-6,12H,1-3,7-10H2,(H,21,24,25)
InChIKeyGQFFVQOOOJFWFV-UHFFFAOYSA-N
MW385.38 g/mol
LogP1.95
Rot. Bonds8

About 4-(5-azidopentoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

4-(5-azidopentoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 155292155) has the molecular formula C18H19N5O5 and a molecular weight of 385.38 g/mol. Its IUPAC name is 4-(5-azidopentoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-(5-azidopentoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
PubChem CID155292155
Molecular FormulaC18H19N5O5
Molecular Weight385.38 g/mol
Exact Mass385.14
IUPAC Name4-(5-azidopentoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILES[N-]=[N+]=NCCCCCOc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C18H19N5O5/c19-22-20-9-2-1-3-10-28-13-6-4-5-11-15(13)18(27)23(17(11)26)12-7-8-14(24)21-16(12)25/h4-6,12H,1-3,7-10H2,(H,21,24,25)
InChIKeyGQFFVQOOOJFWFV-UHFFFAOYSA-N
XLogP1.95
TPSA141.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.38
LogP ≤ 51.95
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-(5-azidopentoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The IUPAC name of 4-(5-azidopentoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 155292155) is 4-(5-azidopentoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 4-(5-azidopentoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The canonical SMILES for 4-(5-azidopentoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is [N-]=[N+]=NCCCCCOc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 4-(5-azidopentoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The InChIKey is GQFFVQOOOJFWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O5/c19-22-20-9-2-1-3-10-28-13-6-4-5-11-15(13)18(27)23(17(11)26)12-7-8-14(24)21-16(12)25/h4-6,12H,1-3,7-10H2,(H,21,24,25).
What are the key properties of 4-(5-azidopentoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
4-(5-azidopentoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 385.38 g/mol, XLogP of 1.95, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-azidopentoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 155292155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).