potassium;3-[6-(aminomethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-(6-bromo-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;tert-butyl N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]carbamate;carbanide;deuterio(fluoro)methane;2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carbonitrile;ethane

C64H72BrFKN11O14 — CID 158790505

About potassium;3-[6-(aminomethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-(6-bromo-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;tert-butyl N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]carbamate;carbanide;deuterio(fluoro)methane;2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carbonitrile;ethane

potassium;3-[6-(aminomethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-(6-bromo-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;tert-butyl N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]carbamate;carbanide;deuterio(fluoro)methane;2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carbonitrile;ethane (PubChem CID 158790505) has the molecular formula C64H72BrFKN11O14 and a molecular weight of 1358.35 g/mol. Its IUPAC name is potassium;3-[6-(aminomethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-(6-bromo-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;tert-butyl N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]carbamate;carbanide;deuterio(fluoro)methane;2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carbonitrile;ethane.

Molecular Properties

• Compound Name: potassium;3-[6-(aminomethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-(6-bromo-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;tert-butyl N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]carbamate;carbanide;deuterio(fluoro)methane;2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carbonitrile;ethane
• PubChem CID: 158790505
• Molecular Formula: C64H72BrFKN11O14
• Molecular Weight: 1358.35 g/mol
• Exact Mass: 1356.41
• IUPAC Name: potassium;3-[6-(aminomethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-(6-bromo-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;tert-butyl N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]carbamate;carbanide;deuterio(fluoro)methane;2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carbonitrile;ethane
• SMILES: CC.CC(C)(C)OC(=O)NCc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O.N#Cc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O.NCc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O.O=C1CCC(N2Cc3cc(Br)ccc3C2=O)C(=O)N1.[2H]CF.[CH3-].[K+]
• InChI: InChI=1S/C19H23N3O5.C14H15N3O3.C14H11N3O3.C13H11BrN2O3.C2H6.CH3F.CH3.K/c1-19(2,3)27-18(26)20-9-11-4-5-13-12(8-11)10-22(17(13)25)14-6-7-15(23)21-16(14)24;2*15-6-8-1-2-10-9(5-8)7-17(14(10)20)11-3-4-12(18)16-13(11)19;14-8-1-2-9-7(5-8)6-16(13(9)19)10-3-4-11(17)15-12(10)18;2*1-2;;/h4-5,8,14H,6-7,9-10H2,1-3H3,(H,20,26)(H,21,23,24);1-2,5,11H,3-4,6-7,15H2,(H,16,18,19);1-2,5,11H,3-4,7H2,(H,16,18,19);1-2,5,10H,3-4,6H2,(H,15,17,18);1-2H3;1H3;1H3;/q;;;;;;-1;+1/i;;;;;1D
• InChIKey: MFZNKJQUAWEFGL-RLGPSGOWSA-N
• XLogP: 1.97
• TPSA: 354.06 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 16
• Rotatable Bonds: 7
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1358.35
LogP ≤ 5	1.97
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of potassium;3-[6-(aminomethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-(6-bromo-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;tert-butyl N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]carbamate;carbanide;deuterio(fluoro)methane;2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carbonitrile;ethane?

The IUPAC name of potassium;3-[6-(aminomethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-(6-bromo-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;tert-butyl N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]carbamate;carbanide;deuterio(fluoro)methane;2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carbonitrile;ethane (CID 158790505) is potassium;3-[6-(aminomethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-(6-bromo-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;tert-butyl N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]carbamate;carbanide;deuterio(fluoro)methane;2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carbonitrile;ethane.

What is the SMILES notation for potassium;3-[6-(aminomethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-(6-bromo-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;tert-butyl N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]carbamate;carbanide;deuterio(fluoro)methane;2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carbonitrile;ethane?

The canonical SMILES for potassium;3-[6-(aminomethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-(6-bromo-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;tert-butyl N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]carbamate;carbanide;deuterio(fluoro)methane;2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carbonitrile;ethane is CC.CC(C)(C)OC(=O)NCc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O.N#Cc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O.NCc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O.O=C1CCC(N2Cc3cc(Br)ccc3C2=O)C(=O)N1.[2H]CF.[CH3-].[K+].

What is the InChIKey of potassium;3-[6-(aminomethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-(6-bromo-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;tert-butyl N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]carbamate;carbanide;deuterio(fluoro)methane;2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carbonitrile;ethane?

The InChIKey is MFZNKJQUAWEFGL-RLGPSGOWSA-N. The full InChI is InChI=1S/C19H23N3O5.C14H15N3O3.C14H11N3O3.C13H11BrN2O3.C2H6.CH3F.CH3.K/c1-19(2,3)27-18(26)20-9-11-4-5-13-12(8-11)10-22(17(13)25)14-6-7-15(23)21-16(14)24;2*15-6-8-1-2-10-9(5-8)7-17(14(10)20)11-3-4-12(18)16-13(11)19;14-8-1-2-9-7(5-8)6-16(13(9)19)10-3-4-11(17)15-12(10)18;2*1-2;;/h4-5,8,14H,6-7,9-10H2,1-3H3,(H,20,26)(H,21,23,24);1-2,5,11H,3-4,6-7,15H2,(H,16,18,19);1-2,5,11H,3-4,7H2,(H,16,18,19);1-2,5,10H,3-4,6H2,(H,15,17,18);1-2H3;1H3;1H3;/q;;;;;;-1;+1/i;;;;;1D;;.

What are the key properties of potassium;3-[6-(aminomethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-(6-bromo-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;tert-butyl N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]carbamate;carbanide;deuterio(fluoro)methane;2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carbonitrile;ethane?

potassium;3-[6-(aminomethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-(6-bromo-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;tert-butyl N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]carbamate;carbanide;deuterio(fluoro)methane;2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carbonitrile;ethane has a molecular weight of 1358.35 g/mol, XLogP of 1.97, 7 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;3-[6-(aminomethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-(6-bromo-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;tert-butyl N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]carbamate;carbanide;deuterio(fluoro)methane;2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carbonitrile;ethane is sourced from PubChem (CID 158790505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).