tert-butyl 4-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]piperazine-1-carboxylate;3-[7-[[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;bis(3-[3-oxo-7-[[4-(piperidin-1-ylmethyl)phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione);dihydrochloride

C161H187Cl2N21O29S — CID 160750102

About tert-butyl 4-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]piperazine-1-carboxylate;3-[7-[[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;bis(3-[3-oxo-7-[[4-(piperidin-1-ylmethyl)phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione);dihydrochloride

tert-butyl 4-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]piperazine-1-carboxylate;3-[7-[[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;bis(3-[3-oxo-7-[[4-(piperidin-1-ylmethyl)phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione);dihydrochloride (PubChem CID 160750102) has the molecular formula C161H187Cl2N21O29S and a molecular weight of 2983.36 g/mol. Its IUPAC name is tert-butyl 4-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]piperazine-1-carboxylate;3-[7-[[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;bis(3-[3-oxo-7-[[4-(piperidin-1-ylmethyl)phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione);dihydrochloride.

Molecular Properties

• Compound Name: tert-butyl 4-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]piperazine-1-carboxylate;3-[7-[[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;bis(3-[3-oxo-7-[[4-(piperidin-1-ylmethyl)phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione);dihydrochloride
• PubChem CID: 160750102
• Molecular Formula: C161H187Cl2N21O29S
• Molecular Weight: 2983.36 g/mol
• Exact Mass: 2980.29
• IUPAC Name: tert-butyl 4-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]piperazine-1-carboxylate;3-[7-[[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;bis(3-[3-oxo-7-[[4-(piperidin-1-ylmethyl)phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione);dihydrochloride
• SMILES: CC(C)(C)OC(=O)N1CCN(Cc2ccc(COc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)cc2)CC1.CN1CCN(Cc2ccc(COc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)cc2)CC1.COC1CCN(Cc2ccc(COc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)cc2)CC1.CS(=O)(=O)N1CCN(Cc2ccc(COc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)cc2)CC1.Cl.Cl.O=C1CCC(N2Cc3c(OCc4ccc(CN5CCCCC5)cc4)cccc3C2=O)C(=O)N1.O=C1CCC(N2Cc3c(OCc4ccc(CN5CCCCC5)cc4)cccc3C2=O)C(=O)N1
• InChI: InChI=1S/C30H36N4O6.C27H31N3O5.C26H30N4O6S.C26H30N4O4.2C26H29N3O4.2ClH/c1-30(2,3)40-29(38)33-15-13-32(14-16-33)17-20-7-9-21(10-8-20)19-39-25-6-4-5-22-23(25)18-34(28(22)37)24-11-12-26(35)31-27(24)36;1-34-20-11-13-29(14-12-20)15-18-5-7-19(8-6-18)17-35-24-4-2-3-21-22(24)16-30(27(21)33)23-9-10-25(31)28-26(23)32;1-37(34,35)29-13-11-28(12-14-29)15-18-5-7-19(8-6-18)17-36-23-4-2-3-20-21(23)16-30(26(20)33)22-9-10-24(31)27-25(22)32;1-28-11-13-29(14-12-28)15-18-5-7-19(8-6-18)17-34-23-4-2-3-20-21(23)16-30(26(20)33)22-9-10-24(31)27-25(22)32;2*30-24-12-11-22(25(31)27-24)29-16-21-20(26(29)32)5-4-6-23(21)33-17-19-9-7-18(8-10-19)15-28-13-2-1-3-14-28;;/h4-10,24H,11-19H2,1-3H3,(H,31,35,36);2-8,20,23H,9-17H2,1H3,(H,28,31,32);2-8,22H,9-17H2,1H3,(H,27,31,32);2-8,22H,9-17H2,1H3,(H,27,31,32);2*4-10,22H,1-3,11-17H2,(H,27,30,31);2*1H
• InChIKey: MPMHXPUBVCCRER-UHFFFAOYSA-N
• XLogP: 15.46
• TPSA: 553.09 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 36
• Rotatable Bonds: 38
• Heavy Atoms: 214
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2983.36
LogP ≤ 5	15.46
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]piperazine-1-carboxylate;3-[7-[[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;bis(3-[3-oxo-7-[[4-(piperidin-1-ylmethyl)phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione);dihydrochloride?

The IUPAC name of tert-butyl 4-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]piperazine-1-carboxylate;3-[7-[[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;bis(3-[3-oxo-7-[[4-(piperidin-1-ylmethyl)phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione);dihydrochloride (CID 160750102) is tert-butyl 4-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]piperazine-1-carboxylate;3-[7-[[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;bis(3-[3-oxo-7-[[4-(piperidin-1-ylmethyl)phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione);dihydrochloride.

What is the SMILES notation for tert-butyl 4-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]piperazine-1-carboxylate;3-[7-[[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;bis(3-[3-oxo-7-[[4-(piperidin-1-ylmethyl)phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione);dihydrochloride?

The canonical SMILES for tert-butyl 4-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]piperazine-1-carboxylate;3-[7-[[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;bis(3-[3-oxo-7-[[4-(piperidin-1-ylmethyl)phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione);dihydrochloride is CC(C)(C)OC(=O)N1CCN(Cc2ccc(COc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)cc2)CC1.CN1CCN(Cc2ccc(COc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)cc2)CC1.COC1CCN(Cc2ccc(COc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)cc2)CC1.CS(=O)(=O)N1CCN(Cc2ccc(COc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)cc2)CC1.Cl.Cl.O=C1CCC(N2Cc3c(OCc4ccc(CN5CCCCC5)cc4)cccc3C2=O)C(=O)N1.O=C1CCC(N2Cc3c(OCc4ccc(CN5CCCCC5)cc4)cccc3C2=O)C(=O)N1.

What is the InChIKey of tert-butyl 4-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]piperazine-1-carboxylate;3-[7-[[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;bis(3-[3-oxo-7-[[4-(piperidin-1-ylmethyl)phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione);dihydrochloride?

The InChIKey is MPMHXPUBVCCRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N4O6.C27H31N3O5.C26H30N4O6S.C26H30N4O4.2C26H29N3O4.2ClH/c1-30(2,3)40-29(38)33-15-13-32(14-16-33)17-20-7-9-21(10-8-20)19-39-25-6-4-5-22-23(25)18-34(28(22)37)24-11-12-26(35)31-27(24)36;1-34-20-11-13-29(14-12-20)15-18-5-7-19(8-6-18)17-35-24-4-2-3-21-22(24)16-30(27(21)33)23-9-10-25(31)28-26(23)32;1-37(34,35)29-13-11-28(12-14-29)15-18-5-7-19(8-6-18)17-36-23-4-2-3-20-21(23)16-30(26(20)33)22-9-10-24(31)27-25(22)32;1-28-11-13-29(14-12-28)15-18-5-7-19(8-6-18)17-34-23-4-2-3-20-21(23)16-30(26(20)33)22-9-10-24(31)27-25(22)32;2*30-24-12-11-22(25(31)27-24)29-16-21-20(26(29)32)5-4-6-23(21)33-17-19-9-7-18(8-10-19)15-28-13-2-1-3-14-28;;/h4-10,24H,11-19H2,1-3H3,(H,31,35,36);2-8,20,23H,9-17H2,1H3,(H,28,31,32);2-8,22H,9-17H2,1H3,(H,27,31,32);2-8,22H,9-17H2,1H3,(H,27,31,32);2*4-10,22H,1-3,11-17H2,(H,27,30,31);2*1H.

What are the key properties of tert-butyl 4-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]piperazine-1-carboxylate;3-[7-[[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;bis(3-[3-oxo-7-[[4-(piperidin-1-ylmethyl)phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione);dihydrochloride?

tert-butyl 4-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]piperazine-1-carboxylate;3-[7-[[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;bis(3-[3-oxo-7-[[4-(piperidin-1-ylmethyl)phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione);dihydrochloride has a molecular weight of 2983.36 g/mol, XLogP of 15.46, 38 rotatable bonds, 6 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]piperazine-1-carboxylate;3-[7-[[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;bis(3-[3-oxo-7-[[4-(piperidin-1-ylmethyl)phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione);dihydrochloride is sourced from PubChem (CID 160750102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).