1-(2,6-dioxopiperidin-3-yl)benzo[e][1]benzofuran-7-carbonitrile;3-[7-[2-(4-methylpiperazin-1-yl)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[7-[3-(4-methylpiperazin-1-yl)propoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[7-(2-morpholin-4-ylethoxy)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[7-(2-pyrrolidin-1-ylethoxy)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[7-(3-pyrrolidin-1-ylpropoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione

C136H141N15O24 — CID 158141483

About 1-(2,6-dioxopiperidin-3-yl)benzo[e][1]benzofuran-7-carbonitrile;3-[7-[2-(4-methylpiperazin-1-yl)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[7-[3-(4-methylpiperazin-1-yl)propoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[7-(2-morpholin-4-ylethoxy)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[7-(2-pyrrolidin-1-ylethoxy)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[7-(3-pyrrolidin-1-ylpropoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione

1-(2,6-dioxopiperidin-3-yl)benzo[e][1]benzofuran-7-carbonitrile;3-[7-[2-(4-methylpiperazin-1-yl)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[7-[3-(4-methylpiperazin-1-yl)propoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[7-(2-morpholin-4-ylethoxy)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[7-(2-pyrrolidin-1-ylethoxy)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[7-(3-pyrrolidin-1-ylpropoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione (PubChem CID 158141483) has the molecular formula C136H141N15O24 and a molecular weight of 2369.70 g/mol. Its IUPAC name is 1-(2,6-dioxopiperidin-3-yl)benzo[e][1]benzofuran-7-carbonitrile;3-[7-[2-(4-methylpiperazin-1-yl)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[7-[3-(4-methylpiperazin-1-yl)propoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[7-(2-morpholin-4-ylethoxy)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[7-(2-pyrrolidin-1-ylethoxy)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[7-(3-pyrrolidin-1-ylpropoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 1-(2,6-dioxopiperidin-3-yl)benzo[e][1]benzofuran-7-carbonitrile;3-[7-[2-(4-methylpiperazin-1-yl)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[7-[3-(4-methylpiperazin-1-yl)propoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[7-(2-morpholin-4-ylethoxy)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[7-(2-pyrrolidin-1-ylethoxy)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[7-(3-pyrrolidin-1-ylpropoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione
• PubChem CID: 158141483
• Molecular Formula: C136H141N15O24
• Molecular Weight: 2369.70 g/mol
• Exact Mass: 2368.03
• IUPAC Name: 1-(2,6-dioxopiperidin-3-yl)benzo[e][1]benzofuran-7-carbonitrile;3-[7-[2-(4-methylpiperazin-1-yl)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[7-[3-(4-methylpiperazin-1-yl)propoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[7-(2-morpholin-4-ylethoxy)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[7-(2-pyrrolidin-1-ylethoxy)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[7-(3-pyrrolidin-1-ylpropoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione
• SMILES: CN1CCN(CCCOc2ccc3c(ccc4occ(C5CCC(=O)NC5=O)c43)c2)CC1.CN1CCN(CCOc2ccc3c(ccc4occ(C5CCC(=O)NC5=O)c43)c2)CC1.N#Cc1ccc2c(ccc3occ(C4CCC(=O)NC4=O)c32)c1.O=C1CCC(c2coc3ccc4cc(OCCN5CCCC5)ccc4c23)C(=O)N1.O=C1CCC(c2coc3ccc4cc(OCCN5CCOCC5)ccc4c23)C(=O)N1.O=C1CCC(c2coc3ccc4nc(OCCCN5CCCC5)ccc4c23)C(=O)N1
• InChI: InChI=1S/C25H29N3O4.C24H27N3O4.C23H25N3O4.C23H24N2O5.C23H24N2O4.C18H12N2O3/c1-27-10-12-28(13-11-27)9-2-14-31-18-4-5-19-17(15-18)3-7-22-24(19)21(16-32-22)20-6-8-23(29)26-25(20)30;1-26-8-10-27(11-9-26)12-13-30-17-3-4-18-16(14-17)2-6-21-23(18)20(15-31-21)19-5-7-22(28)25-24(19)29;27-20-8-4-15(23(28)25-20)17-14-30-19-7-6-18-16(22(17)19)5-9-21(24-18)29-13-3-12-26-10-1-2-11-26;26-21-6-4-18(23(27)24-21)19-14-30-20-5-1-15-13-16(2-3-17(15)22(19)20)29-12-9-25-7-10-28-11-8-25;26-21-8-6-18(23(27)24-21)19-14-29-20-7-3-15-13-16(4-5-17(15)22(19)20)28-12-11-25-9-1-2-10-25;19-8-10-1-3-12-11(7-10)2-5-15-17(12)14(9-23-15)13-4-6-16(21)20-18(13)22/h3-5,7,15-16,20H,2,6,8-14H2,1H3,(H,26,29,30);2-4,6,14-15,19H,5,7-13H2,1H3,(H,25,28,29);5-7,9,14-15H,1-4,8,10-13H2,(H,25,27,28);1-3,5,13-14,18H,4,6-12H2,(H,24,26,27);3-5,7,13-14,18H,1-2,6,8-12H2,(H,24,26,27);1-3,5,7,9,13H,4,6H2,(H,20,21,22)
• InChIKey: FTZNFMJRQLUUOM-UHFFFAOYSA-N
• XLogP: 18.60
• TPSA: 470.60 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 33
• Rotatable Bonds: 28
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2369.70
LogP ≤ 5	18.60
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	33

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 1-(2,6-dioxopiperidin-3-yl)benzo[e][1]benzofuran-7-carbonitrile;3-[7-[2-(4-methylpiperazin-1-yl)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[7-[3-(4-methylpiperazin-1-yl)propoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[7-(2-morpholin-4-ylethoxy)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[7-(2-pyrrolidin-1-ylethoxy)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[7-(3-pyrrolidin-1-ylpropoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione?

The IUPAC name of 1-(2,6-dioxopiperidin-3-yl)benzo[e][1]benzofuran-7-carbonitrile;3-[7-[2-(4-methylpiperazin-1-yl)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[7-[3-(4-methylpiperazin-1-yl)propoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[7-(2-morpholin-4-ylethoxy)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[7-(2-pyrrolidin-1-ylethoxy)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[7-(3-pyrrolidin-1-ylpropoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione (CID 158141483) is 1-(2,6-dioxopiperidin-3-yl)benzo[e][1]benzofuran-7-carbonitrile;3-[7-[2-(4-methylpiperazin-1-yl)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[7-[3-(4-methylpiperazin-1-yl)propoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[7-(2-morpholin-4-ylethoxy)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[7-(2-pyrrolidin-1-ylethoxy)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[7-(3-pyrrolidin-1-ylpropoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione.

What is the SMILES notation for 1-(2,6-dioxopiperidin-3-yl)benzo[e][1]benzofuran-7-carbonitrile;3-[7-[2-(4-methylpiperazin-1-yl)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[7-[3-(4-methylpiperazin-1-yl)propoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[7-(2-morpholin-4-ylethoxy)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[7-(2-pyrrolidin-1-ylethoxy)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[7-(3-pyrrolidin-1-ylpropoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione?

The canonical SMILES for 1-(2,6-dioxopiperidin-3-yl)benzo[e][1]benzofuran-7-carbonitrile;3-[7-[2-(4-methylpiperazin-1-yl)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[7-[3-(4-methylpiperazin-1-yl)propoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[7-(2-morpholin-4-ylethoxy)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[7-(2-pyrrolidin-1-ylethoxy)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[7-(3-pyrrolidin-1-ylpropoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione is CN1CCN(CCCOc2ccc3c(ccc4occ(C5CCC(=O)NC5=O)c43)c2)CC1.CN1CCN(CCOc2ccc3c(ccc4occ(C5CCC(=O)NC5=O)c43)c2)CC1.N#Cc1ccc2c(ccc3occ(C4CCC(=O)NC4=O)c32)c1.O=C1CCC(c2coc3ccc4cc(OCCN5CCCC5)ccc4c23)C(=O)N1.O=C1CCC(c2coc3ccc4cc(OCCN5CCOCC5)ccc4c23)C(=O)N1.O=C1CCC(c2coc3ccc4nc(OCCCN5CCCC5)ccc4c23)C(=O)N1.

What is the InChIKey of 1-(2,6-dioxopiperidin-3-yl)benzo[e][1]benzofuran-7-carbonitrile;3-[7-[2-(4-methylpiperazin-1-yl)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[7-[3-(4-methylpiperazin-1-yl)propoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[7-(2-morpholin-4-ylethoxy)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[7-(2-pyrrolidin-1-ylethoxy)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[7-(3-pyrrolidin-1-ylpropoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione?

The InChIKey is FTZNFMJRQLUUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4.C24H27N3O4.C23H25N3O4.C23H24N2O5.C23H24N2O4.C18H12N2O3/c1-27-10-12-28(13-11-27)9-2-14-31-18-4-5-19-17(15-18)3-7-22-24(19)21(16-32-22)20-6-8-23(29)26-25(20)30;1-26-8-10-27(11-9-26)12-13-30-17-3-4-18-16(14-17)2-6-21-23(18)20(15-31-21)19-5-7-22(28)25-24(19)29;27-20-8-4-15(23(28)25-20)17-14-30-19-7-6-18-16(22(17)19)5-9-21(24-18)29-13-3-12-26-10-1-2-11-26;26-21-6-4-18(23(27)24-21)19-14-30-20-5-1-15-13-16(2-3-17(15)22(19)20)29-12-9-25-7-10-28-11-8-25;26-21-8-6-18(23(27)24-21)19-14-29-20-7-3-15-13-16(4-5-17(15)22(19)20)28-12-11-25-9-1-2-10-25;19-8-10-1-3-12-11(7-10)2-5-15-17(12)14(9-23-15)13-4-6-16(21)20-18(13)22/h3-5,7,15-16,20H,2,6,8-14H2,1H3,(H,26,29,30);2-4,6,14-15,19H,5,7-13H2,1H3,(H,25,28,29);5-7,9,14-15H,1-4,8,10-13H2,(H,25,27,28);1-3,5,13-14,18H,4,6-12H2,(H,24,26,27);3-5,7,13-14,18H,1-2,6,8-12H2,(H,24,26,27);1-3,5,7,9,13H,4,6H2,(H,20,21,22).

What are the key properties of 1-(2,6-dioxopiperidin-3-yl)benzo[e][1]benzofuran-7-carbonitrile;3-[7-[2-(4-methylpiperazin-1-yl)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[7-[3-(4-methylpiperazin-1-yl)propoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[7-(2-morpholin-4-ylethoxy)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[7-(2-pyrrolidin-1-ylethoxy)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[7-(3-pyrrolidin-1-ylpropoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione?

1-(2,6-dioxopiperidin-3-yl)benzo[e][1]benzofuran-7-carbonitrile;3-[7-[2-(4-methylpiperazin-1-yl)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[7-[3-(4-methylpiperazin-1-yl)propoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[7-(2-morpholin-4-ylethoxy)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[7-(2-pyrrolidin-1-ylethoxy)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[7-(3-pyrrolidin-1-ylpropoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione has a molecular weight of 2369.70 g/mol, XLogP of 18.60, 28 rotatable bonds, 6 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,6-dioxopiperidin-3-yl)benzo[e][1]benzofuran-7-carbonitrile;3-[7-[2-(4-methylpiperazin-1-yl)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[7-[3-(4-methylpiperazin-1-yl)propoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[7-(2-morpholin-4-ylethoxy)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[7-(2-pyrrolidin-1-ylethoxy)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[7-(3-pyrrolidin-1-ylpropoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 158141483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).