4-[3-[3-(4-aminopiperidin-1-yl)propoxy]propylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C24H33N5O5 — CID 170395243

About 4-[3-[3-(4-aminopiperidin-1-yl)propoxy]propylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

4-[3-[3-(4-aminopiperidin-1-yl)propoxy]propylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 170395243) has the molecular formula C24H33N5O5 and a molecular weight of 471.56 g/mol. Its IUPAC name is 4-[3-[3-(4-aminopiperidin-1-yl)propoxy]propylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

• Compound Name: 4-[3-[3-(4-aminopiperidin-1-yl)propoxy]propylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• PubChem CID: 170395243
• Molecular Formula: C24H33N5O5
• Molecular Weight: 471.56 g/mol
• Exact Mass: 471.25
• IUPAC Name: 4-[3-[3-(4-aminopiperidin-1-yl)propoxy]propylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• SMILES: NC1CCN(CCCOCCCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1
• InChI: InChI=1S/C24H33N5O5/c25-16-8-12-28(13-9-16)11-3-15-34-14-2-10-26-18-5-1-4-17-21(18)24(33)29(23(17)32)19-6-7-20(30)27-22(19)31/h1,4-5,16,19,26H,2-3,6-15,25H2,(H,27,30,31)
• InChIKey: LMMFVNAYODGVIE-UHFFFAOYSA-N
• XLogP: 0.72
• TPSA: 134.07 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.56
LogP ≤ 5	0.72
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

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 4-[3-[3-(4-aminopiperidin-1-yl)propoxy]propylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The IUPAC name of 4-[3-[3-(4-aminopiperidin-1-yl)propoxy]propylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 170395243) is 4-[3-[3-(4-aminopiperidin-1-yl)propoxy]propylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

What is the SMILES notation for 4-[3-[3-(4-aminopiperidin-1-yl)propoxy]propylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The canonical SMILES for 4-[3-[3-(4-aminopiperidin-1-yl)propoxy]propylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is NC1CCN(CCCOCCCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1.

What is the InChIKey of 4-[3-[3-(4-aminopiperidin-1-yl)propoxy]propylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The InChIKey is LMMFVNAYODGVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O5/c25-16-8-12-28(13-9-16)11-3-15-34-14-2-10-26-18-5-1-4-17-21(18)24(33)29(23(17)32)19-6-7-20(30)27-22(19)31/h1,4-5,16,19,26H,2-3,6-15,25H2,(H,27,30,31).

What are the key properties of 4-[3-[3-(4-aminopiperidin-1-yl)propoxy]propylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

4-[3-[3-(4-aminopiperidin-1-yl)propoxy]propylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 471.56 g/mol, XLogP of 0.72, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[3-(4-aminopiperidin-1-yl)propoxy]propylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 170395243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).