bis(2-(2,6-dioxopiperidin-3-yl)-4-[2-(4-propylpiperazin-1-yl)ethoxy]isoindole-1,3-dione);bis(2-(2,6-dioxopiperidin-3-yl)-4-[3-(4-propylpiperazin-1-yl)propyl]isoindole-1,3-dione);3-[3-oxo-7-[3-(4-propylpiperazin-1-yl)propyl]-1H-isoindol-2-yl]piperidine-2,6-dione

C113H148N20O21 — CID 157318608

About bis(2-(2,6-dioxopiperidin-3-yl)-4-[2-(4-propylpiperazin-1-yl)ethoxy]isoindole-1,3-dione);bis(2-(2,6-dioxopiperidin-3-yl)-4-[3-(4-propylpiperazin-1-yl)propyl]isoindole-1,3-dione);3-[3-oxo-7-[3-(4-propylpiperazin-1-yl)propyl]-1H-isoindol-2-yl]piperidine-2,6-dione

bis(2-(2,6-dioxopiperidin-3-yl)-4-[2-(4-propylpiperazin-1-yl)ethoxy]isoindole-1,3-dione);bis(2-(2,6-dioxopiperidin-3-yl)-4-[3-(4-propylpiperazin-1-yl)propyl]isoindole-1,3-dione);3-[3-oxo-7-[3-(4-propylpiperazin-1-yl)propyl]-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 157318608) has the molecular formula C113H148N20O21 and a molecular weight of 2122.55 g/mol. Its IUPAC name is bis(2-(2,6-dioxopiperidin-3-yl)-4-[2-(4-propylpiperazin-1-yl)ethoxy]isoindole-1,3-dione);bis(2-(2,6-dioxopiperidin-3-yl)-4-[3-(4-propylpiperazin-1-yl)propyl]isoindole-1,3-dione);3-[3-oxo-7-[3-(4-propylpiperazin-1-yl)propyl]-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: bis(2-(2,6-dioxopiperidin-3-yl)-4-[2-(4-propylpiperazin-1-yl)ethoxy]isoindole-1,3-dione);bis(2-(2,6-dioxopiperidin-3-yl)-4-[3-(4-propylpiperazin-1-yl)propyl]isoindole-1,3-dione);3-[3-oxo-7-[3-(4-propylpiperazin-1-yl)propyl]-1H-isoindol-2-yl]piperidine-2,6-dione
• PubChem CID: 157318608
• Molecular Formula: C113H148N20O21
• Molecular Weight: 2122.55 g/mol
• Exact Mass: 2121.11
• IUPAC Name: bis(2-(2,6-dioxopiperidin-3-yl)-4-[2-(4-propylpiperazin-1-yl)ethoxy]isoindole-1,3-dione);bis(2-(2,6-dioxopiperidin-3-yl)-4-[3-(4-propylpiperazin-1-yl)propyl]isoindole-1,3-dione);3-[3-oxo-7-[3-(4-propylpiperazin-1-yl)propyl]-1H-isoindol-2-yl]piperidine-2,6-dione
• SMILES: CCCN1CCN(CCCc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1.CCCN1CCN(CCCc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1.CCCN1CCN(CCCc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)CC1.CCCN1CCN(CCOc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1.CCCN1CCN(CCOc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1
• InChI: InChI=1S/2C23H30N4O4.C23H32N4O3.2C22H28N4O5/c2*1-2-10-25-12-14-26(15-13-25)11-4-6-16-5-3-7-17-20(16)23(31)27(22(17)30)18-8-9-19(28)24-21(18)29;1-2-10-25-12-14-26(15-13-25)11-4-6-17-5-3-7-18-19(17)16-27(23(18)30)20-8-9-21(28)24-22(20)29;2*1-2-8-24-9-11-25(12-10-24)13-14-31-17-5-3-4-15-19(17)22(30)26(21(15)29)16-6-7-18(27)23-20(16)28/h2*3,5,7,18H,2,4,6,8-15H2,1H3,(H,24,28,29);3,5,7,20H,2,4,6,8-16H2,1H3,(H,24,28,29);2*3-5,16H,2,6-14H2,1H3,(H,23,27,28)
• InChIKey: BDWYPJCPKITQGG-UHFFFAOYSA-N
• XLogP: 4.49
• TPSA: 451.54 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 31
• Rotatable Bonds: 35
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2122.55
LogP ≤ 5	4.49
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(2-(2,6-dioxopiperidin-3-yl)-4-[2-(4-propylpiperazin-1-yl)ethoxy]isoindole-1,3-dione);bis(2-(2,6-dioxopiperidin-3-yl)-4-[3-(4-propylpiperazin-1-yl)propyl]isoindole-1,3-dione);3-[3-oxo-7-[3-(4-propylpiperazin-1-yl)propyl]-1H-isoindol-2-yl]piperidine-2,6-dione?

The IUPAC name of bis(2-(2,6-dioxopiperidin-3-yl)-4-[2-(4-propylpiperazin-1-yl)ethoxy]isoindole-1,3-dione);bis(2-(2,6-dioxopiperidin-3-yl)-4-[3-(4-propylpiperazin-1-yl)propyl]isoindole-1,3-dione);3-[3-oxo-7-[3-(4-propylpiperazin-1-yl)propyl]-1H-isoindol-2-yl]piperidine-2,6-dione (CID 157318608) is bis(2-(2,6-dioxopiperidin-3-yl)-4-[2-(4-propylpiperazin-1-yl)ethoxy]isoindole-1,3-dione);bis(2-(2,6-dioxopiperidin-3-yl)-4-[3-(4-propylpiperazin-1-yl)propyl]isoindole-1,3-dione);3-[3-oxo-7-[3-(4-propylpiperazin-1-yl)propyl]-1H-isoindol-2-yl]piperidine-2,6-dione.

What is the SMILES notation for bis(2-(2,6-dioxopiperidin-3-yl)-4-[2-(4-propylpiperazin-1-yl)ethoxy]isoindole-1,3-dione);bis(2-(2,6-dioxopiperidin-3-yl)-4-[3-(4-propylpiperazin-1-yl)propyl]isoindole-1,3-dione);3-[3-oxo-7-[3-(4-propylpiperazin-1-yl)propyl]-1H-isoindol-2-yl]piperidine-2,6-dione?

The canonical SMILES for bis(2-(2,6-dioxopiperidin-3-yl)-4-[2-(4-propylpiperazin-1-yl)ethoxy]isoindole-1,3-dione);bis(2-(2,6-dioxopiperidin-3-yl)-4-[3-(4-propylpiperazin-1-yl)propyl]isoindole-1,3-dione);3-[3-oxo-7-[3-(4-propylpiperazin-1-yl)propyl]-1H-isoindol-2-yl]piperidine-2,6-dione is CCCN1CCN(CCCc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1.CCCN1CCN(CCCc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1.CCCN1CCN(CCCc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)CC1.CCCN1CCN(CCOc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1.CCCN1CCN(CCOc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1.

What is the InChIKey of bis(2-(2,6-dioxopiperidin-3-yl)-4-[2-(4-propylpiperazin-1-yl)ethoxy]isoindole-1,3-dione);bis(2-(2,6-dioxopiperidin-3-yl)-4-[3-(4-propylpiperazin-1-yl)propyl]isoindole-1,3-dione);3-[3-oxo-7-[3-(4-propylpiperazin-1-yl)propyl]-1H-isoindol-2-yl]piperidine-2,6-dione?

The InChIKey is BDWYPJCPKITQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H30N4O4.C23H32N4O3.2C22H28N4O5/c2*1-2-10-25-12-14-26(15-13-25)11-4-6-16-5-3-7-17-20(16)23(31)27(22(17)30)18-8-9-19(28)24-21(18)29;1-2-10-25-12-14-26(15-13-25)11-4-6-17-5-3-7-18-19(17)16-27(23(18)30)20-8-9-21(28)24-22(20)29;2*1-2-8-24-9-11-25(12-10-24)13-14-31-17-5-3-4-15-19(17)22(30)26(21(15)29)16-6-7-18(27)23-20(16)28/h2*3,5,7,18H,2,4,6,8-15H2,1H3,(H,24,28,29);3,5,7,20H,2,4,6,8-16H2,1H3,(H,24,28,29);2*3-5,16H,2,6-14H2,1H3,(H,23,27,28).

What are the key properties of bis(2-(2,6-dioxopiperidin-3-yl)-4-[2-(4-propylpiperazin-1-yl)ethoxy]isoindole-1,3-dione);bis(2-(2,6-dioxopiperidin-3-yl)-4-[3-(4-propylpiperazin-1-yl)propyl]isoindole-1,3-dione);3-[3-oxo-7-[3-(4-propylpiperazin-1-yl)propyl]-1H-isoindol-2-yl]piperidine-2,6-dione?

bis(2-(2,6-dioxopiperidin-3-yl)-4-[2-(4-propylpiperazin-1-yl)ethoxy]isoindole-1,3-dione);bis(2-(2,6-dioxopiperidin-3-yl)-4-[3-(4-propylpiperazin-1-yl)propyl]isoindole-1,3-dione);3-[3-oxo-7-[3-(4-propylpiperazin-1-yl)propyl]-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 2122.55 g/mol, XLogP of 4.49, 35 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-(2,6-dioxopiperidin-3-yl)-4-[2-(4-propylpiperazin-1-yl)ethoxy]isoindole-1,3-dione);bis(2-(2,6-dioxopiperidin-3-yl)-4-[3-(4-propylpiperazin-1-yl)propyl]isoindole-1,3-dione);3-[3-oxo-7-[3-(4-propylpiperazin-1-yl)propyl]-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 157318608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).