2-(2,6-dioxopiperidin-3-yl)-4-[[(2-hydroxy-2-piperidin-3-ylpropyl)amino]methyl]isoindole-1,3-dione

C22H28N4O5 — CID 167730126

About 2-(2,6-dioxopiperidin-3-yl)-4-[[(2-hydroxy-2-piperidin-3-ylpropyl)amino]methyl]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-4-[[(2-hydroxy-2-piperidin-3-ylpropyl)amino]methyl]isoindole-1,3-dione (PubChem CID 167730126) has the molecular formula C22H28N4O5 and a molecular weight of 428.49 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-4-[[(2-hydroxy-2-piperidin-3-ylpropyl)amino]methyl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-4-[[(2-hydroxy-2-piperidin-3-ylpropyl)amino]methyl]isoindole-1,3-dione
• PubChem CID: 167730126
• Molecular Formula: C22H28N4O5
• Molecular Weight: 428.49 g/mol
• Exact Mass: 428.21
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-4-[[(2-hydroxy-2-piperidin-3-ylpropyl)amino]methyl]isoindole-1,3-dione
• SMILES: CC(O)(CNCc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)C1CCCNC1
• InChI: InChI=1S/C22H28N4O5/c1-22(31,14-5-3-9-23-11-14)12-24-10-13-4-2-6-15-18(13)21(30)26(20(15)29)16-7-8-17(27)25-19(16)28/h2,4,6,14,16,23-24,31H,3,5,7-12H2,1H3,(H,25,27,28)
• InChIKey: YXWQAAXLVPXSLY-UHFFFAOYSA-N
• XLogP: -0.07
• TPSA: 127.84 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.49
LogP ≤ 5	-0.07
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-[[(2-hydroxy-2-piperidin-3-ylpropyl)amino]methyl]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-[[(2-hydroxy-2-piperidin-3-ylpropyl)amino]methyl]isoindole-1,3-dione (CID 167730126) is 2-(2,6-dioxopiperidin-3-yl)-4-[[(2-hydroxy-2-piperidin-3-ylpropyl)amino]methyl]isoindole-1,3-dione.

What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-4-[[(2-hydroxy-2-piperidin-3-ylpropyl)amino]methyl]isoindole-1,3-dione?

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-4-[[(2-hydroxy-2-piperidin-3-ylpropyl)amino]methyl]isoindole-1,3-dione is CC(O)(CNCc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)C1CCCNC1.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-4-[[(2-hydroxy-2-piperidin-3-ylpropyl)amino]methyl]isoindole-1,3-dione?

The InChIKey is YXWQAAXLVPXSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O5/c1-22(31,14-5-3-9-23-11-14)12-24-10-13-4-2-6-15-18(13)21(30)26(20(15)29)16-7-8-17(27)25-19(16)28/h2,4,6,14,16,23-24,31H,3,5,7-12H2,1H3,(H,25,27,28).

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-4-[[(2-hydroxy-2-piperidin-3-ylpropyl)amino]methyl]isoindole-1,3-dione?

2-(2,6-dioxopiperidin-3-yl)-4-[[(2-hydroxy-2-piperidin-3-ylpropyl)amino]methyl]isoindole-1,3-dione has a molecular weight of 428.49 g/mol, XLogP of -0.07, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-4-[[(2-hydroxy-2-piperidin-3-ylpropyl)amino]methyl]isoindole-1,3-dione is sourced from PubChem (CID 167730126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).