3-[7-[[1-(3-morpholin-4-ylphenyl)triazol-4-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C26H26N6O5 — CID 162770984

About 3-[7-[[1-(3-morpholin-4-ylphenyl)triazol-4-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[7-[[1-(3-morpholin-4-ylphenyl)triazol-4-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 162770984) has the molecular formula C26H26N6O5 and a molecular weight of 502.53 g/mol. Its IUPAC name is 3-[7-[[1-(3-morpholin-4-ylphenyl)triazol-4-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[7-[[1-(3-morpholin-4-ylphenyl)triazol-4-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• PubChem CID: 162770984
• Molecular Formula: C26H26N6O5
• Molecular Weight: 502.53 g/mol
• Exact Mass: 502.20
• IUPAC Name: 3-[7-[[1-(3-morpholin-4-ylphenyl)triazol-4-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• SMILES: O=C1CCC(N2Cc3c(OCc4cn(-c5cccc(N6CCOCC6)c5)nn4)cccc3C2=O)C(=O)N1
• InChI: InChI=1S/C26H26N6O5/c33-24-8-7-22(25(34)27-24)31-15-21-20(26(31)35)5-2-6-23(21)37-16-17-14-32(29-28-17)19-4-1-3-18(13-19)30-9-11-36-12-10-30/h1-6,13-14,22H,7-12,15-16H2,(H,27,33,34)
• InChIKey: VUOYOOYIRRJUEV-UHFFFAOYSA-N
• XLogP: 1.44
• TPSA: 118.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.53
LogP ≤ 5	1.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[7-[[1-(3-morpholin-4-ylphenyl)triazol-4-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The IUPAC name of 3-[7-[[1-(3-morpholin-4-ylphenyl)triazol-4-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 162770984) is 3-[7-[[1-(3-morpholin-4-ylphenyl)triazol-4-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

What is the SMILES notation for 3-[7-[[1-(3-morpholin-4-ylphenyl)triazol-4-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The canonical SMILES for 3-[7-[[1-(3-morpholin-4-ylphenyl)triazol-4-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3c(OCc4cn(-c5cccc(N6CCOCC6)c5)nn4)cccc3C2=O)C(=O)N1.

What is the InChIKey of 3-[7-[[1-(3-morpholin-4-ylphenyl)triazol-4-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The InChIKey is VUOYOOYIRRJUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O5/c33-24-8-7-22(25(34)27-24)31-15-21-20(26(31)35)5-2-6-23(21)37-16-17-14-32(29-28-17)19-4-1-3-18(13-19)30-9-11-36-12-10-30/h1-6,13-14,22H,7-12,15-16H2,(H,27,33,34).

What are the key properties of 3-[7-[[1-(3-morpholin-4-ylphenyl)triazol-4-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

3-[7-[[1-(3-morpholin-4-ylphenyl)triazol-4-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 502.53 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[7-[[1-(3-morpholin-4-ylphenyl)triazol-4-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 162770984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).