3-(7-cyclopropylbenzo[e][1]benzofuran-1-yl)piperidine-2,6-dione;3-[7-[2-(4-hydroxy-4-methylpiperidin-1-yl)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[7-[2-(4-hydroxypiperidin-1-yl)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[6-(2-morpholin-4-ylethoxy)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[6-(2-pyrrolidin-1-ylethyl)furo[3,2-e]indol-1-yl]piperidine-2,6-dione

C113H118N10O21 — CID 158056252

IUPAC3-(7-cyclopropylbenzo[e][1]benzofuran-1-yl)piperidine-2,6-dione;3-[7-[2-(4-hydroxy-4-methylpiperidin-1-yl)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[7-[2-(4-hydroxypiperidin-1-yl)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[6-(2-morpholin-4-ylethoxy)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[6-(2-pyrrolidin-1-ylethyl)furo[3,2-e]indol-1-yl]piperidine-2,6-dione
SMILESCC1(O)CCN(CCOc2ccc3c(ccc4occ(C5CCC(=O)NC5=O)c43)c2)CC1.O=C1CCC(c2coc3ccc4c(OCCN5CCOCC5)cccc4c23)C(=O)N1.O=C1CCC(c2coc3ccc4c(ccn4CCN4CCCC4)c23)C(=O)N1.O=C1CCC(c2coc3ccc4cc(C5CC5)ccc4c23)C(=O)N1.O=C1CCC(c2coc3ccc4cc(OCCN5CCC(O)CC5)ccc4c23)C(=O)N1
InChIInChI=1S/C25H28N2O5.C24H26N2O5.C23H24N2O5.C21H23N3O3.C20H17NO3/c1-25(30)8-10-27(11-9-25)12-13-31-17-3-4-18-16(14-17)2-6-21-23(18)20(15-32-21)19-5-7-22(28)26-24(19)29;27-16-7-9-26(10-8-16)11-12-30-17-2-3-18-15(13-17)1-5-21-23(18)20(14-31-21)19-4-6-22(28)25-24(19)29;26-21-7-5-17(23(27)24-21)18-14-30-20-6-4-15-16(22(18)20)2-1-3-19(15)29-13-10-25-8-11-28-12-9-25;25-19-6-3-14(21(26)22-19)16-13-27-18-5-4-17-15(20(16)18)7-10-24(17)12-11-23-8-1-2-9-23;22-18-8-6-15(20(23)21-18)16-10-24-17-7-4-13-9-12(11-1-2-11)3-5-14(13)19(16)17/h2-4,6,14-15,19,30H,5,7-13H2,1H3,(H,26,28,29);1-3,5,13-14,16,19,27H,4,6-12H2,(H,25,28,29);1-4,6,14,17H,5,7-13H2,(H,24,26,27);4-5,7,10,13-14H,1-3,6,8-9,11-12H2,(H,22,25,26);3-5,7,9-11,15H,1-2,6,8H2,(H,21,22,23)
InChIKeyFKBYVCVWDAKQCG-UHFFFAOYSA-N
MW1952.24 g/mol
LogP16.08
Rot. Bonds21

About 3-(7-cyclopropylbenzo[e][1]benzofuran-1-yl)piperidine-2,6-dione;3-[7-[2-(4-hydroxy-4-methylpiperidin-1-yl)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[7-[2-(4-hydroxypiperidin-1-yl)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[6-(2-morpholin-4-ylethoxy)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[6-(2-pyrrolidin-1-ylethyl)furo[3,2-e]indol-1-yl]piperidine-2,6-dione

3-(7-cyclopropylbenzo[e][1]benzofuran-1-yl)piperidine-2,6-dione;3-[7-[2-(4-hydroxy-4-methylpiperidin-1-yl)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[7-[2-(4-hydroxypiperidin-1-yl)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[6-(2-morpholin-4-ylethoxy)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[6-(2-pyrrolidin-1-ylethyl)furo[3,2-e]indol-1-yl]piperidine-2,6-dione (PubChem CID 158056252) has the molecular formula C113H118N10O21 and a molecular weight of 1952.24 g/mol. Its IUPAC name is 3-(7-cyclopropylbenzo[e][1]benzofuran-1-yl)piperidine-2,6-dione;3-[7-[2-(4-hydroxy-4-methylpiperidin-1-yl)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[7-[2-(4-hydroxypiperidin-1-yl)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[6-(2-morpholin-4-ylethoxy)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[6-(2-pyrrolidin-1-ylethyl)furo[3,2-e]indol-1-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-(7-cyclopropylbenzo[e][1]benzofuran-1-yl)piperidine-2,6-dione;3-[7-[2-(4-hydroxy-4-methylpiperidin-1-yl)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[7-[2-(4-hydroxypiperidin-1-yl)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[6-(2-morpholin-4-ylethoxy)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[6-(2-pyrrolidin-1-ylethyl)furo[3,2-e]indol-1-yl]piperidine-2,6-dione
PubChem CID158056252
Molecular FormulaC113H118N10O21
Molecular Weight1952.24 g/mol
Exact Mass1950.85
IUPAC Name3-(7-cyclopropylbenzo[e][1]benzofuran-1-yl)piperidine-2,6-dione;3-[7-[2-(4-hydroxy-4-methylpiperidin-1-yl)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[7-[2-(4-hydroxypiperidin-1-yl)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[6-(2-morpholin-4-ylethoxy)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[6-(2-pyrrolidin-1-ylethyl)furo[3,2-e]indol-1-yl]piperidine-2,6-dione
SMILESCC1(O)CCN(CCOc2ccc3c(ccc4occ(C5CCC(=O)NC5=O)c43)c2)CC1.O=C1CCC(c2coc3ccc4c(OCCN5CCOCC5)cccc4c23)C(=O)N1.O=C1CCC(c2coc3ccc4c(ccn4CCN4CCCC4)c23)C(=O)N1.O=C1CCC(c2coc3ccc4cc(C5CC5)ccc4c23)C(=O)N1.O=C1CCC(c2coc3ccc4cc(OCCN5CCC(O)CC5)ccc4c23)C(=O)N1
InChIInChI=1S/C25H28N2O5.C24H26N2O5.C23H24N2O5.C21H23N3O3.C20H17NO3/c1-25(30)8-10-27(11-9-25)12-13-31-17-3-4-18-16(14-17)2-6-21-23(18)20(15-32-21)19-5-7-22(28)26-24(19)29;27-16-7-9-26(10-8-16)11-12-30-17-2-3-18-15(13-17)1-5-21-23(18)20(14-31-21)19-4-6-22(28)25-24(19)29;26-21-7-5-17(23(27)24-21)18-14-30-20-6-4-15-16(22(18)20)2-1-3-19(15)29-13-10-25-8-11-28-12-9-25;25-19-6-3-14(21(26)22-19)16-13-27-18-5-4-17-15(20(16)18)7-10-24(17)12-11-23-8-1-2-9-23;22-18-8-6-15(20(23)21-18)16-10-24-17-7-4-13-9-12(11-1-2-11)3-5-14(13)19(16)17/h2-4,6,14-15,19,30H,5,7-13H2,1H3,(H,26,28,29);1-3,5,13-14,16,19,27H,4,6-12H2,(H,25,28,29);1-4,6,14,17H,5,7-13H2,(H,24,26,27);4-5,7,10,13-14H,1-3,6,8-9,11-12H2,(H,22,25,26);3-5,7,9-11,15H,1-2,6,8H2,(H,21,22,23)
InChIKeyFKBYVCVWDAKQCG-UHFFFAOYSA-N
XLogP16.08
TPSA391.82 Ų
H-Bond Donors7
H-Bond Acceptors26
Rotatable Bonds21
Heavy Atoms144
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001952.24
LogP ≤ 516.08
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze 3-(7-cyclopropylbenzo[e][1]benzofuran-1-yl)piperidine-2,6-dione;3-[7-[2-(4-hydroxy-4-methylpiperidin-1-yl)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[7-[2-(4-hydroxypiperidin-1-yl)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[6-(2-morpholin-4-ylethoxy)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[6-(2-pyrrolidin-1-ylethyl)furo[3,2-e]indol-1-yl]piperidine-2,6-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(7-cyclopropylbenzo[e][1]benzofuran-1-yl)piperidine-2,6-dione;3-[7-[2-(4-hydroxy-4-methylpiperidin-1-yl)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[7-[2-(4-hydroxypiperidin-1-yl)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[6-(2-morpholin-4-ylethoxy)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[6-(2-pyrrolidin-1-ylethyl)furo[3,2-e]indol-1-yl]piperidine-2,6-dione?
The IUPAC name of 3-(7-cyclopropylbenzo[e][1]benzofuran-1-yl)piperidine-2,6-dione;3-[7-[2-(4-hydroxy-4-methylpiperidin-1-yl)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[7-[2-(4-hydroxypiperidin-1-yl)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[6-(2-morpholin-4-ylethoxy)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[6-(2-pyrrolidin-1-ylethyl)furo[3,2-e]indol-1-yl]piperidine-2,6-dione (CID 158056252) is 3-(7-cyclopropylbenzo[e][1]benzofuran-1-yl)piperidine-2,6-dione;3-[7-[2-(4-hydroxy-4-methylpiperidin-1-yl)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[7-[2-(4-hydroxypiperidin-1-yl)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[6-(2-morpholin-4-ylethoxy)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[6-(2-pyrrolidin-1-ylethyl)furo[3,2-e]indol-1-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-(7-cyclopropylbenzo[e][1]benzofuran-1-yl)piperidine-2,6-dione;3-[7-[2-(4-hydroxy-4-methylpiperidin-1-yl)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[7-[2-(4-hydroxypiperidin-1-yl)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[6-(2-morpholin-4-ylethoxy)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[6-(2-pyrrolidin-1-ylethyl)furo[3,2-e]indol-1-yl]piperidine-2,6-dione?
The canonical SMILES for 3-(7-cyclopropylbenzo[e][1]benzofuran-1-yl)piperidine-2,6-dione;3-[7-[2-(4-hydroxy-4-methylpiperidin-1-yl)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[7-[2-(4-hydroxypiperidin-1-yl)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[6-(2-morpholin-4-ylethoxy)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[6-(2-pyrrolidin-1-ylethyl)furo[3,2-e]indol-1-yl]piperidine-2,6-dione is CC1(O)CCN(CCOc2ccc3c(ccc4occ(C5CCC(=O)NC5=O)c43)c2)CC1.O=C1CCC(c2coc3ccc4c(OCCN5CCOCC5)cccc4c23)C(=O)N1.O=C1CCC(c2coc3ccc4c(ccn4CCN4CCCC4)c23)C(=O)N1.O=C1CCC(c2coc3ccc4cc(C5CC5)ccc4c23)C(=O)N1.O=C1CCC(c2coc3ccc4cc(OCCN5CCC(O)CC5)ccc4c23)C(=O)N1.
What is the InChIKey of 3-(7-cyclopropylbenzo[e][1]benzofuran-1-yl)piperidine-2,6-dione;3-[7-[2-(4-hydroxy-4-methylpiperidin-1-yl)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[7-[2-(4-hydroxypiperidin-1-yl)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[6-(2-morpholin-4-ylethoxy)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[6-(2-pyrrolidin-1-ylethyl)furo[3,2-e]indol-1-yl]piperidine-2,6-dione?
The InChIKey is FKBYVCVWDAKQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O5.C24H26N2O5.C23H24N2O5.C21H23N3O3.C20H17NO3/c1-25(30)8-10-27(11-9-25)12-13-31-17-3-4-18-16(14-17)2-6-21-23(18)20(15-32-21)19-5-7-22(28)26-24(19)29;27-16-7-9-26(10-8-16)11-12-30-17-2-3-18-15(13-17)1-5-21-23(18)20(14-31-21)19-4-6-22(28)25-24(19)29;26-21-7-5-17(23(27)24-21)18-14-30-20-6-4-15-16(22(18)20)2-1-3-19(15)29-13-10-25-8-11-28-12-9-25;25-19-6-3-14(21(26)22-19)16-13-27-18-5-4-17-15(20(16)18)7-10-24(17)12-11-23-8-1-2-9-23;22-18-8-6-15(20(23)21-18)16-10-24-17-7-4-13-9-12(11-1-2-11)3-5-14(13)19(16)17/h2-4,6,14-15,19,30H,5,7-13H2,1H3,(H,26,28,29);1-3,5,13-14,16,19,27H,4,6-12H2,(H,25,28,29);1-4,6,14,17H,5,7-13H2,(H,24,26,27);4-5,7,10,13-14H,1-3,6,8-9,11-12H2,(H,22,25,26);3-5,7,9-11,15H,1-2,6,8H2,(H,21,22,23).
What are the key properties of 3-(7-cyclopropylbenzo[e][1]benzofuran-1-yl)piperidine-2,6-dione;3-[7-[2-(4-hydroxy-4-methylpiperidin-1-yl)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[7-[2-(4-hydroxypiperidin-1-yl)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[6-(2-morpholin-4-ylethoxy)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[6-(2-pyrrolidin-1-ylethyl)furo[3,2-e]indol-1-yl]piperidine-2,6-dione?
3-(7-cyclopropylbenzo[e][1]benzofuran-1-yl)piperidine-2,6-dione;3-[7-[2-(4-hydroxy-4-methylpiperidin-1-yl)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[7-[2-(4-hydroxypiperidin-1-yl)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[6-(2-morpholin-4-ylethoxy)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[6-(2-pyrrolidin-1-ylethyl)furo[3,2-e]indol-1-yl]piperidine-2,6-dione has a molecular weight of 1952.24 g/mol, XLogP of 16.08, 21 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-cyclopropylbenzo[e][1]benzofuran-1-yl)piperidine-2,6-dione;3-[7-[2-(4-hydroxy-4-methylpiperidin-1-yl)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[7-[2-(4-hydroxypiperidin-1-yl)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[6-(2-morpholin-4-ylethoxy)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;3-[6-(2-pyrrolidin-1-ylethyl)furo[3,2-e]indol-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 158056252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).