tert-butyl N-[1-(2,6-dioxopiperidin-3-yl)benzo[e][1]benzofuran-7-yl]carbamate;3-[7-[2-(dimethylamino)ethoxy]furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione;3-[7-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[6-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[7-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione

C109H111N11O21 — CID 158700158

About tert-butyl N-[1-(2,6-dioxopiperidin-3-yl)benzo[e][1]benzofuran-7-yl]carbamate;3-[7-[2-(dimethylamino)ethoxy]furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione;3-[7-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[6-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[7-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione

tert-butyl N-[1-(2,6-dioxopiperidin-3-yl)benzo[e][1]benzofuran-7-yl]carbamate;3-[7-[2-(dimethylamino)ethoxy]furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione;3-[7-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[6-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[7-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione (PubChem CID 158700158) has the molecular formula C109H111N11O21 and a molecular weight of 1911.14 g/mol. Its IUPAC name is tert-butyl N-[1-(2,6-dioxopiperidin-3-yl)benzo[e][1]benzofuran-7-yl]carbamate;3-[7-[2-(dimethylamino)ethoxy]furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione;3-[7-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[6-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[7-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: tert-butyl N-[1-(2,6-dioxopiperidin-3-yl)benzo[e][1]benzofuran-7-yl]carbamate;3-[7-[2-(dimethylamino)ethoxy]furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione;3-[7-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[6-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[7-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione
• PubChem CID: 158700158
• Molecular Formula: C109H111N11O21
• Molecular Weight: 1911.14 g/mol
• Exact Mass: 1909.80
• IUPAC Name: tert-butyl N-[1-(2,6-dioxopiperidin-3-yl)benzo[e][1]benzofuran-7-yl]carbamate;3-[7-[2-(dimethylamino)ethoxy]furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione;3-[7-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[6-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[7-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione
• SMILES: CC(C)(C)OC(=O)Nc1ccc2c(ccc3occ(C4CCC(=O)NC4=O)c32)c1.CN(C)CCOc1ccc2c(ccc3occ(C4CCC(=O)NC4=O)c32)n1.O=C1CCC(c2coc3ccc4c(CN5CCOCC5)cccc4c23)C(=O)N1.O=C1CCC(c2coc3ccc4cc(CCN5CCOCC5)ccc4c23)C(=O)N1.O=C1CCC(c2coc3ccc4cc(CN5CCOCC5)ccc4c23)C(=O)N1
• InChI: InChI=1S/C23H24N2O4.C22H22N2O5.2C22H22N2O4.C20H21N3O4/c26-21-6-4-18(23(27)24-21)19-14-29-20-5-2-16-13-15(1-3-17(16)22(19)20)7-8-25-9-11-28-12-10-25;1-22(2,3)29-21(27)23-13-5-6-14-12(10-13)4-8-17-19(14)16(11-28-17)15-7-9-18(25)24-20(15)26;25-20-6-4-17(22(26)23-20)18-13-28-19-5-2-15-11-14(1-3-16(15)21(18)19)12-24-7-9-27-10-8-24;25-20-7-5-17(22(26)23-20)18-13-28-19-6-4-15-14(2-1-3-16(15)21(18)19)12-24-8-10-27-11-9-24;1-23(2)9-10-26-18-8-4-13-15(21-18)5-6-16-19(13)14(11-27-16)12-3-7-17(24)22-20(12)25/h1-3,5,13-14,18H,4,6-12H2,(H,24,26,27);4-6,8,10-11,15H,7,9H2,1-3H3,(H,23,27)(H,24,25,26);1-3,5,11,13,17H,4,6-10,12H2,(H,23,25,26);1-4,6,13,17H,5,7-12H2,(H,23,25,26);4-6,8,11-12H,3,7,9-10H2,1-2H3,(H,22,24,25)
• InChIKey: IHLDHYCRPNWMCB-UHFFFAOYSA-N
• XLogP: 15.75
• TPSA: 397.65 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 26
• Rotatable Bonds: 17
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1911.14
LogP ≤ 5	15.75
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(2,6-dioxopiperidin-3-yl)benzo[e][1]benzofuran-7-yl]carbamate;3-[7-[2-(dimethylamino)ethoxy]furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione;3-[7-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[6-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[7-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione?

The IUPAC name of tert-butyl N-[1-(2,6-dioxopiperidin-3-yl)benzo[e][1]benzofuran-7-yl]carbamate;3-[7-[2-(dimethylamino)ethoxy]furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione;3-[7-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[6-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[7-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione (CID 158700158) is tert-butyl N-[1-(2,6-dioxopiperidin-3-yl)benzo[e][1]benzofuran-7-yl]carbamate;3-[7-[2-(dimethylamino)ethoxy]furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione;3-[7-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[6-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[7-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione.

What is the SMILES notation for tert-butyl N-[1-(2,6-dioxopiperidin-3-yl)benzo[e][1]benzofuran-7-yl]carbamate;3-[7-[2-(dimethylamino)ethoxy]furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione;3-[7-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[6-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[7-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione?

The canonical SMILES for tert-butyl N-[1-(2,6-dioxopiperidin-3-yl)benzo[e][1]benzofuran-7-yl]carbamate;3-[7-[2-(dimethylamino)ethoxy]furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione;3-[7-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[6-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[7-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione is CC(C)(C)OC(=O)Nc1ccc2c(ccc3occ(C4CCC(=O)NC4=O)c32)c1.CN(C)CCOc1ccc2c(ccc3occ(C4CCC(=O)NC4=O)c32)n1.O=C1CCC(c2coc3ccc4c(CN5CCOCC5)cccc4c23)C(=O)N1.O=C1CCC(c2coc3ccc4cc(CCN5CCOCC5)ccc4c23)C(=O)N1.O=C1CCC(c2coc3ccc4cc(CN5CCOCC5)ccc4c23)C(=O)N1.

What is the InChIKey of tert-butyl N-[1-(2,6-dioxopiperidin-3-yl)benzo[e][1]benzofuran-7-yl]carbamate;3-[7-[2-(dimethylamino)ethoxy]furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione;3-[7-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[6-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[7-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione?

The InChIKey is IHLDHYCRPNWMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4.C22H22N2O5.2C22H22N2O4.C20H21N3O4/c26-21-6-4-18(23(27)24-21)19-14-29-20-5-2-16-13-15(1-3-17(16)22(19)20)7-8-25-9-11-28-12-10-25;1-22(2,3)29-21(27)23-13-5-6-14-12(10-13)4-8-17-19(14)16(11-28-17)15-7-9-18(25)24-20(15)26;25-20-6-4-17(22(26)23-20)18-13-28-19-5-2-15-11-14(1-3-16(15)21(18)19)12-24-7-9-27-10-8-24;25-20-7-5-17(22(26)23-20)18-13-28-19-6-4-15-14(2-1-3-16(15)21(18)19)12-24-8-10-27-11-9-24;1-23(2)9-10-26-18-8-4-13-15(21-18)5-6-16-19(13)14(11-27-16)12-3-7-17(24)22-20(12)25/h1-3,5,13-14,18H,4,6-12H2,(H,24,26,27);4-6,8,10-11,15H,7,9H2,1-3H3,(H,23,27)(H,24,25,26);1-3,5,11,13,17H,4,6-10,12H2,(H,23,25,26);1-4,6,13,17H,5,7-12H2,(H,23,25,26);4-6,8,11-12H,3,7,9-10H2,1-2H3,(H,22,24,25).

What are the key properties of tert-butyl N-[1-(2,6-dioxopiperidin-3-yl)benzo[e][1]benzofuran-7-yl]carbamate;3-[7-[2-(dimethylamino)ethoxy]furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione;3-[7-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[6-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[7-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione?

tert-butyl N-[1-(2,6-dioxopiperidin-3-yl)benzo[e][1]benzofuran-7-yl]carbamate;3-[7-[2-(dimethylamino)ethoxy]furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione;3-[7-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[6-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[7-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione has a molecular weight of 1911.14 g/mol, XLogP of 15.75, 17 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[1-(2,6-dioxopiperidin-3-yl)benzo[e][1]benzofuran-7-yl]carbamate;3-[7-[2-(dimethylamino)ethoxy]furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione;3-[7-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[6-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[7-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 158700158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).