2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-(2-piperidin-4-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;hydrochloride

C28H41ClN4O9 — CID 155292597

About 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-(2-piperidin-4-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;hydrochloride

2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-(2-piperidin-4-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;hydrochloride (PubChem CID 155292597) has the molecular formula C28H41ClN4O9 and a molecular weight of 613.11 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-(2-piperidin-4-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;hydrochloride.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-(2-piperidin-4-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;hydrochloride
• PubChem CID: 155292597
• Molecular Formula: C28H41ClN4O9
• Molecular Weight: 613.11 g/mol
• Exact Mass: 612.26
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-(2-piperidin-4-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;hydrochloride
• SMILES: Cl.O=C1CCC(N2C(=O)c3cccc(NCCOCCOCCOCCOCCOC4CCNCC4)c3C2=O)C(=O)N1
• InChI: InChI=1S/C28H40N4O9.ClH/c33-24-5-4-23(26(34)31-24)32-27(35)21-2-1-3-22(25(21)28(32)36)30-10-11-37-12-13-38-14-15-39-16-17-40-18-19-41-20-6-8-29-9-7-20;/h1-3,20,23,29-30H,4-19H2,(H,31,33,34);1H
• InChIKey: JGAAPLORFQWTPU-UHFFFAOYSA-N
• XLogP: 0.76
• TPSA: 153.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 18
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	613.11
LogP ≤ 5	0.76
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-(2-piperidin-4-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;hydrochloride?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-(2-piperidin-4-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;hydrochloride (CID 155292597) is 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-(2-piperidin-4-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;hydrochloride.

What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-(2-piperidin-4-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;hydrochloride?

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-(2-piperidin-4-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;hydrochloride is Cl.O=C1CCC(N2C(=O)c3cccc(NCCOCCOCCOCCOCCOC4CCNCC4)c3C2=O)C(=O)N1.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-(2-piperidin-4-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;hydrochloride?

The InChIKey is JGAAPLORFQWTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N4O9.ClH/c33-24-5-4-23(26(34)31-24)32-27(35)21-2-1-3-22(25(21)28(32)36)30-10-11-37-12-13-38-14-15-39-16-17-40-18-19-41-20-6-8-29-9-7-20;/h1-3,20,23,29-30H,4-19H2,(H,31,33,34);1H.

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-(2-piperidin-4-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;hydrochloride?

2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-(2-piperidin-4-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;hydrochloride has a molecular weight of 613.11 g/mol, XLogP of 0.76, 18 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-(2-piperidin-4-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;hydrochloride is sourced from PubChem (CID 155292597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).