3-aminopiperidine-2,6-dione;2-(1-benzyl-2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;2-(1-benzyl-2,6-dioxopiperidin-3-yl)-5-octylisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;5-fluoro-2-benzofuran-1,3-dione;hydrochloride

C74H68ClF3N8O17 — CID 161483575

IUPAC3-aminopiperidine-2,6-dione;2-(1-benzyl-2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;2-(1-benzyl-2,6-dioxopiperidin-3-yl)-5-octylisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;5-fluoro-2-benzofuran-1,3-dione;hydrochloride
SMILESCCCCCCCCc1ccc2c(c1)C(=O)N(C1CCC(=O)N(Cc3ccccc3)C1=O)C2=O.Cl.NC1CCC(=O)NC1=O.O=C1CCC(N2C(=O)c3ccc(F)cc3C2=O)C(=O)N1.O=C1CCC(N2C(=O)c3ccc(F)cc3C2=O)C(=O)N1Cc1ccccc1.O=C1OC(=O)c2cc(F)ccc21
InChIInChI=1S/C28H32N2O4.C20H15FN2O4.C13H9FN2O4.C8H3FO3.C5H8N2O2.ClH/c1-2-3-4-5-6-8-11-20-14-15-22-23(18-20)27(33)30(26(22)32)24-16-17-25(31)29(28(24)34)19-21-12-9-7-10-13-21;21-13-6-7-14-15(10-13)19(26)23(18(14)25)16-8-9-17(24)22(20(16)27)11-12-4-2-1-3-5-12;14-6-1-2-7-8(5-6)13(20)16(12(7)19)9-3-4-10(17)15-11(9)18;9-4-1-2-5-6(3-4)8(11)12-7(5)10;6-3-1-2-4(8)7-5(3)9;/h7,9-10,12-15,18,24H,2-6,8,11,16-17,19H2,1H3;1-7,10,16H,8-9,11H2;1-2,5,9H,3-4H2,(H,15,17,18);1-3H;3H,1-2,6H2,(H,7,8,9);1H
InChIKeyQSJCNWIGTBIYEL-UHFFFAOYSA-N
MW1433.84 g/mol
LogP7.58
Rot. Bonds14

About 3-aminopiperidine-2,6-dione;2-(1-benzyl-2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;2-(1-benzyl-2,6-dioxopiperidin-3-yl)-5-octylisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;5-fluoro-2-benzofuran-1,3-dione;hydrochloride

3-aminopiperidine-2,6-dione;2-(1-benzyl-2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;2-(1-benzyl-2,6-dioxopiperidin-3-yl)-5-octylisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;5-fluoro-2-benzofuran-1,3-dione;hydrochloride (PubChem CID 161483575) has the molecular formula C74H68ClF3N8O17 and a molecular weight of 1433.84 g/mol. Its IUPAC name is 3-aminopiperidine-2,6-dione;2-(1-benzyl-2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;2-(1-benzyl-2,6-dioxopiperidin-3-yl)-5-octylisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;5-fluoro-2-benzofuran-1,3-dione;hydrochloride.

Molecular Properties

Compound Name3-aminopiperidine-2,6-dione;2-(1-benzyl-2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;2-(1-benzyl-2,6-dioxopiperidin-3-yl)-5-octylisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;5-fluoro-2-benzofuran-1,3-dione;hydrochloride
PubChem CID161483575
Molecular FormulaC74H68ClF3N8O17
Molecular Weight1433.84 g/mol
Exact Mass1432.43
IUPAC Name3-aminopiperidine-2,6-dione;2-(1-benzyl-2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;2-(1-benzyl-2,6-dioxopiperidin-3-yl)-5-octylisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;5-fluoro-2-benzofuran-1,3-dione;hydrochloride
SMILESCCCCCCCCc1ccc2c(c1)C(=O)N(C1CCC(=O)N(Cc3ccccc3)C1=O)C2=O.Cl.NC1CCC(=O)NC1=O.O=C1CCC(N2C(=O)c3ccc(F)cc3C2=O)C(=O)N1.O=C1CCC(N2C(=O)c3ccc(F)cc3C2=O)C(=O)N1Cc1ccccc1.O=C1OC(=O)c2cc(F)ccc21
InChIInChI=1S/C28H32N2O4.C20H15FN2O4.C13H9FN2O4.C8H3FO3.C5H8N2O2.ClH/c1-2-3-4-5-6-8-11-20-14-15-22-23(18-20)27(33)30(26(22)32)24-16-17-25(31)29(28(24)34)19-21-12-9-7-10-13-21;21-13-6-7-14-15(10-13)19(26)23(18(14)25)16-8-9-17(24)22(20(16)27)11-12-4-2-1-3-5-12;14-6-1-2-7-8(5-6)13(20)16(12(7)19)9-3-4-10(17)15-11(9)18;9-4-1-2-5-6(3-4)8(11)12-7(5)10;6-3-1-2-4(8)7-5(3)9;/h7,9-10,12-15,18,24H,2-6,8,11,16-17,19H2,1H3;1-7,10,16H,8-9,11H2;1-2,5,9H,3-4H2,(H,15,17,18);1-3H;3H,1-2,6H2,(H,7,8,9);1H
InChIKeyQSJCNWIGTBIYEL-UHFFFAOYSA-N
XLogP7.58
TPSA348.63 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds14
Heavy Atoms103
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001433.84
LogP ≤ 57.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-aminopiperidine-2,6-dione;2-(1-benzyl-2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;2-(1-benzyl-2,6-dioxopiperidin-3-yl)-5-octylisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;5-fluoro-2-benzofuran-1,3-dione;hydrochloride with MolForge

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Related Compounds

2-(1-benzyl-2,6-dioxopiperidin-3-yl)-5-octylisoindole-1,3-dione
CID 161001871
5-butyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 157474778
5-(4-aminobutyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 163540718
tert-butyl 4-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]ethyl]benzoate;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione
CID 158130854
2-(2,6-dioxopiperidin-3-yl)-5-(2-phenylmethoxyethyl)isoindole-1,3-dione
CID 146411095
5-[[6-aminohexyl(methyl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167717770
2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propoxy]ethyl methanesulfonate
CID 161284436
5-[(3-aminoazetidin-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167733813
3-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propoxy]propanoic acid
CID 146485046
2-(2,6-dioxopiperidin-3-yl)-5-[(4-methylpiperazin-1-yl)methyl]isoindole-1,3-dione
CID 168872542
2-(2,6-dioxopiperidin-3-yl)-4-undecylisoindole-1,3-dione
CID 158773174
acetyl acetate;3-aminopiperidine-2,6-dione;benzo[f][2]benzofuran-1,3-dione;2-(2,6-dioxopiperidin-3-yl)benzo[de]isoquinoline-1,3-dione;2-(2,6-dioxopiperidin-3-yl)benzo[f]isoindole-1,3-dione;naphthalene-2,3-dicarboxylic acid;3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-2,4-dione
CID 161388290

Frequently Asked Questions

What is the IUPAC name of 3-aminopiperidine-2,6-dione;2-(1-benzyl-2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;2-(1-benzyl-2,6-dioxopiperidin-3-yl)-5-octylisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;5-fluoro-2-benzofuran-1,3-dione;hydrochloride?
The IUPAC name of 3-aminopiperidine-2,6-dione;2-(1-benzyl-2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;2-(1-benzyl-2,6-dioxopiperidin-3-yl)-5-octylisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;5-fluoro-2-benzofuran-1,3-dione;hydrochloride (CID 161483575) is 3-aminopiperidine-2,6-dione;2-(1-benzyl-2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;2-(1-benzyl-2,6-dioxopiperidin-3-yl)-5-octylisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;5-fluoro-2-benzofuran-1,3-dione;hydrochloride.
What is the SMILES notation for 3-aminopiperidine-2,6-dione;2-(1-benzyl-2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;2-(1-benzyl-2,6-dioxopiperidin-3-yl)-5-octylisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;5-fluoro-2-benzofuran-1,3-dione;hydrochloride?
The canonical SMILES for 3-aminopiperidine-2,6-dione;2-(1-benzyl-2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;2-(1-benzyl-2,6-dioxopiperidin-3-yl)-5-octylisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;5-fluoro-2-benzofuran-1,3-dione;hydrochloride is CCCCCCCCc1ccc2c(c1)C(=O)N(C1CCC(=O)N(Cc3ccccc3)C1=O)C2=O.Cl.NC1CCC(=O)NC1=O.O=C1CCC(N2C(=O)c3ccc(F)cc3C2=O)C(=O)N1.O=C1CCC(N2C(=O)c3ccc(F)cc3C2=O)C(=O)N1Cc1ccccc1.O=C1OC(=O)c2cc(F)ccc21.
What is the InChIKey of 3-aminopiperidine-2,6-dione;2-(1-benzyl-2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;2-(1-benzyl-2,6-dioxopiperidin-3-yl)-5-octylisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;5-fluoro-2-benzofuran-1,3-dione;hydrochloride?
The InChIKey is QSJCNWIGTBIYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O4.C20H15FN2O4.C13H9FN2O4.C8H3FO3.C5H8N2O2.ClH/c1-2-3-4-5-6-8-11-20-14-15-22-23(18-20)27(33)30(26(22)32)24-16-17-25(31)29(28(24)34)19-21-12-9-7-10-13-21;21-13-6-7-14-15(10-13)19(26)23(18(14)25)16-8-9-17(24)22(20(16)27)11-12-4-2-1-3-5-12;14-6-1-2-7-8(5-6)13(20)16(12(7)19)9-3-4-10(17)15-11(9)18;9-4-1-2-5-6(3-4)8(11)12-7(5)10;6-3-1-2-4(8)7-5(3)9;/h7,9-10,12-15,18,24H,2-6,8,11,16-17,19H2,1H3;1-7,10,16H,8-9,11H2;1-2,5,9H,3-4H2,(H,15,17,18);1-3H;3H,1-2,6H2,(H,7,8,9);1H.
What are the key properties of 3-aminopiperidine-2,6-dione;2-(1-benzyl-2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;2-(1-benzyl-2,6-dioxopiperidin-3-yl)-5-octylisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;5-fluoro-2-benzofuran-1,3-dione;hydrochloride?
3-aminopiperidine-2,6-dione;2-(1-benzyl-2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;2-(1-benzyl-2,6-dioxopiperidin-3-yl)-5-octylisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;5-fluoro-2-benzofuran-1,3-dione;hydrochloride has a molecular weight of 1433.84 g/mol, XLogP of 7.58, 14 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopiperidine-2,6-dione;2-(1-benzyl-2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;2-(1-benzyl-2,6-dioxopiperidin-3-yl)-5-octylisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;5-fluoro-2-benzofuran-1,3-dione;hydrochloride is sourced from PubChem (CID 161483575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).