3-[6-[[1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]piperidin-4-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;tert-butyl N-[2-[2-[2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]piperidin-1-yl]ethoxy]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-(2-oxoethoxy)ethoxy]ethyl]carbamate;iminotungsten;3-[3-oxo-6-(piperidin-4-ylmethyl)-1H-isoindol-2-yl]piperidine-2,6-dione;dihydrochloride

C85H127Cl2N13O20W — CID 157391129

About 3-[6-[[1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]piperidin-4-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;tert-butyl N-[2-[2-[2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]piperidin-1-yl]ethoxy]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-(2-oxoethoxy)ethoxy]ethyl]carbamate;iminotungsten;3-[3-oxo-6-(piperidin-4-ylmethyl)-1H-isoindol-2-yl]piperidine-2,6-dione;dihydrochloride

3-[6-[[1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]piperidin-4-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;tert-butyl N-[2-[2-[2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]piperidin-1-yl]ethoxy]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-(2-oxoethoxy)ethoxy]ethyl]carbamate;iminotungsten;3-[3-oxo-6-(piperidin-4-ylmethyl)-1H-isoindol-2-yl]piperidine-2,6-dione;dihydrochloride (PubChem CID 157391129) has the molecular formula C85H127Cl2N13O20W and a molecular weight of 1905.77 g/mol. Its IUPAC name is 3-[6-[[1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]piperidin-4-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;tert-butyl N-[2-[2-[2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]piperidin-1-yl]ethoxy]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-(2-oxoethoxy)ethoxy]ethyl]carbamate;iminotungsten;3-[3-oxo-6-(piperidin-4-ylmethyl)-1H-isoindol-2-yl]piperidine-2,6-dione;dihydrochloride.

Molecular Properties

• Compound Name: 3-[6-[[1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]piperidin-4-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;tert-butyl N-[2-[2-[2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]piperidin-1-yl]ethoxy]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-(2-oxoethoxy)ethoxy]ethyl]carbamate;iminotungsten;3-[3-oxo-6-(piperidin-4-ylmethyl)-1H-isoindol-2-yl]piperidine-2,6-dione;dihydrochloride
• PubChem CID: 157391129
• Molecular Formula: C85H127Cl2N13O20W
• Molecular Weight: 1905.77 g/mol
• Exact Mass: 1903.82
• IUPAC Name: 3-[6-[[1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]piperidin-4-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;tert-butyl N-[2-[2-[2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]piperidin-1-yl]ethoxy]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-(2-oxoethoxy)ethoxy]ethyl]carbamate;iminotungsten;3-[3-oxo-6-(piperidin-4-ylmethyl)-1H-isoindol-2-yl]piperidine-2,6-dione;dihydrochloride
• SMILES: CC(C)(C)OC(=O)NCCOCCOCC=O.CC(C)(C)OC(=O)NCCOCCOCCN1CCC(Cc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)CC1.Cl.Cl.N=[W].NCCOCCOCCN1CCC(Cc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)CC1.O=C1CCC(N2Cc3cc(CC4CCNCC4)ccc3C2=O)C(=O)N1
• InChI: InChI=1S/C30H44N4O7.C25H36N4O5.C19H23N3O3.C11H21NO5.2ClH.HN.W/c1-30(2,3)41-29(38)31-10-14-39-16-17-40-15-13-33-11-8-21(9-12-33)18-22-4-5-24-23(19-22)20-34(28(24)37)25-6-7-26(35)32-27(25)36;26-7-11-33-13-14-34-12-10-28-8-5-18(6-9-28)15-19-1-2-21-20(16-19)17-29(25(21)32)22-3-4-23(30)27-24(22)31;23-17-4-3-16(18(24)21-17)22-11-14-10-13(1-2-15(14)19(22)25)9-12-5-7-20-8-6-12;1-11(2,3)17-10(14)12-4-6-15-8-9-16-7-5-13;;;;/h4-5,19,21,25H,6-18,20H2,1-3H3,(H,31,38)(H,32,35,36);1-2,16,18,22H,3-15,17,26H2,(H,27,30,31);1-2,10,12,16,20H,3-9,11H2,(H,21,23,24);5H,4,6-9H2,1-3H3,(H,12,14);3*1H
• InChIKey: VZCDVNFJFUPVIE-UHFFFAOYSA-N
• XLogP: 5.83
• TPSA: 416.93 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 25
• Rotatable Bonds: 34
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1905.77
LogP ≤ 5	5.83
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[6-[[1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]piperidin-4-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;tert-butyl N-[2-[2-[2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]piperidin-1-yl]ethoxy]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-(2-oxoethoxy)ethoxy]ethyl]carbamate;iminotungsten;3-[3-oxo-6-(piperidin-4-ylmethyl)-1H-isoindol-2-yl]piperidine-2,6-dione;dihydrochloride?

The IUPAC name of 3-[6-[[1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]piperidin-4-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;tert-butyl N-[2-[2-[2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]piperidin-1-yl]ethoxy]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-(2-oxoethoxy)ethoxy]ethyl]carbamate;iminotungsten;3-[3-oxo-6-(piperidin-4-ylmethyl)-1H-isoindol-2-yl]piperidine-2,6-dione;dihydrochloride (CID 157391129) is 3-[6-[[1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]piperidin-4-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;tert-butyl N-[2-[2-[2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]piperidin-1-yl]ethoxy]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-(2-oxoethoxy)ethoxy]ethyl]carbamate;iminotungsten;3-[3-oxo-6-(piperidin-4-ylmethyl)-1H-isoindol-2-yl]piperidine-2,6-dione;dihydrochloride.

What is the SMILES notation for 3-[6-[[1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]piperidin-4-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;tert-butyl N-[2-[2-[2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]piperidin-1-yl]ethoxy]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-(2-oxoethoxy)ethoxy]ethyl]carbamate;iminotungsten;3-[3-oxo-6-(piperidin-4-ylmethyl)-1H-isoindol-2-yl]piperidine-2,6-dione;dihydrochloride?

The canonical SMILES for 3-[6-[[1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]piperidin-4-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;tert-butyl N-[2-[2-[2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]piperidin-1-yl]ethoxy]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-(2-oxoethoxy)ethoxy]ethyl]carbamate;iminotungsten;3-[3-oxo-6-(piperidin-4-ylmethyl)-1H-isoindol-2-yl]piperidine-2,6-dione;dihydrochloride is CC(C)(C)OC(=O)NCCOCCOCC=O.CC(C)(C)OC(=O)NCCOCCOCCN1CCC(Cc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)CC1.Cl.Cl.N=[W].NCCOCCOCCN1CCC(Cc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)CC1.O=C1CCC(N2Cc3cc(CC4CCNCC4)ccc3C2=O)C(=O)N1.

What is the InChIKey of 3-[6-[[1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]piperidin-4-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;tert-butyl N-[2-[2-[2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]piperidin-1-yl]ethoxy]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-(2-oxoethoxy)ethoxy]ethyl]carbamate;iminotungsten;3-[3-oxo-6-(piperidin-4-ylmethyl)-1H-isoindol-2-yl]piperidine-2,6-dione;dihydrochloride?

The InChIKey is VZCDVNFJFUPVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H44N4O7.C25H36N4O5.C19H23N3O3.C11H21NO5.2ClH.HN.W/c1-30(2,3)41-29(38)31-10-14-39-16-17-40-15-13-33-11-8-21(9-12-33)18-22-4-5-24-23(19-22)20-34(28(24)37)25-6-7-26(35)32-27(25)36;26-7-11-33-13-14-34-12-10-28-8-5-18(6-9-28)15-19-1-2-21-20(16-19)17-29(25(21)32)22-3-4-23(30)27-24(22)31;23-17-4-3-16(18(24)21-17)22-11-14-10-13(1-2-15(14)19(22)25)9-12-5-7-20-8-6-12;1-11(2,3)17-10(14)12-4-6-15-8-9-16-7-5-13;;;;/h4-5,19,21,25H,6-18,20H2,1-3H3,(H,31,38)(H,32,35,36);1-2,16,18,22H,3-15,17,26H2,(H,27,30,31);1-2,10,12,16,20H,3-9,11H2,(H,21,23,24);5H,4,6-9H2,1-3H3,(H,12,14);3*1H;.

What are the key properties of 3-[6-[[1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]piperidin-4-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;tert-butyl N-[2-[2-[2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]piperidin-1-yl]ethoxy]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-(2-oxoethoxy)ethoxy]ethyl]carbamate;iminotungsten;3-[3-oxo-6-(piperidin-4-ylmethyl)-1H-isoindol-2-yl]piperidine-2,6-dione;dihydrochloride?

3-[6-[[1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]piperidin-4-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;tert-butyl N-[2-[2-[2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]piperidin-1-yl]ethoxy]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-(2-oxoethoxy)ethoxy]ethyl]carbamate;iminotungsten;3-[3-oxo-6-(piperidin-4-ylmethyl)-1H-isoindol-2-yl]piperidine-2,6-dione;dihydrochloride has a molecular weight of 1905.77 g/mol, XLogP of 5.83, 34 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-[[1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]piperidin-4-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;tert-butyl N-[2-[2-[2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]piperidin-1-yl]ethoxy]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-(2-oxoethoxy)ethoxy]ethyl]carbamate;iminotungsten;3-[3-oxo-6-(piperidin-4-ylmethyl)-1H-isoindol-2-yl]piperidine-2,6-dione;dihydrochloride is sourced from PubChem (CID 157391129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).