3-[7-[[4-[[4-[1-[5-[[4-[2-[5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]ethyl]piperidin-1-yl]methyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]propan-2-yl]piperidin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C85H97N9O12 — CID 134240472

About 3-[7-[[4-[[4-[1-[5-[[4-[2-[5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]ethyl]piperidin-1-yl]methyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]propan-2-yl]piperidin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[7-[[4-[[4-[1-[5-[[4-[2-[5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]ethyl]piperidin-1-yl]methyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]propan-2-yl]piperidin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 134240472) has the molecular formula C85H97N9O12 and a molecular weight of 1436.76 g/mol. Its IUPAC name is 3-[7-[[4-[[4-[1-[5-[[4-[2-[5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]ethyl]piperidin-1-yl]methyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]propan-2-yl]piperidin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[7-[[4-[[4-[1-[5-[[4-[2-[5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]ethyl]piperidin-1-yl]methyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]propan-2-yl]piperidin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• PubChem CID: 134240472
• Molecular Formula: C85H97N9O12
• Molecular Weight: 1436.76 g/mol
• Exact Mass: 1435.73
• IUPAC Name: 3-[7-[[4-[[4-[1-[5-[[4-[2-[5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]ethyl]piperidin-1-yl]methyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]propan-2-yl]piperidin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• SMILES: CC(Cc1cc(CN2CCC(CCc3cc(CN4CCC(C)(C)CC4)ccc3COc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)CC2)ccc1COc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O)C1CCN(Cc2ccc(COc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)cc2)CC1
• InChI: InChI=1S/C85H97N9O12/c1-53(59-31-37-90(38-32-59)44-55-13-15-56(16-14-55)50-104-73-10-4-7-64-67(73)47-92(82(64)101)70-23-26-76(95)86-79(70)98)41-63-43-58(19-22-62(63)52-106-75-12-6-9-66-69(75)49-94(84(66)103)72-25-28-78(97)88-81(72)100)45-89-35-29-54(30-36-89)17-20-60-42-57(46-91-39-33-85(2,3)34-40-91)18-21-61(60)51-105-74-11-5-8-65-68(74)48-93(83(65)102)71-24-27-77(96)87-80(71)99/h4-16,18-19,21-22,42-43,53-54,59,70-72H,17,20,23-41,44-52H2,1-3H3,(H,86,95,98)(H,87,96,99)(H,88,97,100)
• InChIKey: SRVKUSXIFHKJQC-UHFFFAOYSA-N
• XLogP: 10.26
• TPSA: 236.85 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 24
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1436.76
LogP ≤ 5	10.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[7-[[4-[[4-[1-[5-[[4-[2-[5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]ethyl]piperidin-1-yl]methyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]propan-2-yl]piperidin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The IUPAC name of 3-[7-[[4-[[4-[1-[5-[[4-[2-[5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]ethyl]piperidin-1-yl]methyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]propan-2-yl]piperidin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 134240472) is 3-[7-[[4-[[4-[1-[5-[[4-[2-[5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]ethyl]piperidin-1-yl]methyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]propan-2-yl]piperidin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

What is the SMILES notation for 3-[7-[[4-[[4-[1-[5-[[4-[2-[5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]ethyl]piperidin-1-yl]methyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]propan-2-yl]piperidin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The canonical SMILES for 3-[7-[[4-[[4-[1-[5-[[4-[2-[5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]ethyl]piperidin-1-yl]methyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]propan-2-yl]piperidin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is CC(Cc1cc(CN2CCC(CCc3cc(CN4CCC(C)(C)CC4)ccc3COc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)CC2)ccc1COc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O)C1CCN(Cc2ccc(COc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)cc2)CC1.

What is the InChIKey of 3-[7-[[4-[[4-[1-[5-[[4-[2-[5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]ethyl]piperidin-1-yl]methyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]propan-2-yl]piperidin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The InChIKey is SRVKUSXIFHKJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H97N9O12/c1-53(59-31-37-90(38-32-59)44-55-13-15-56(16-14-55)50-104-73-10-4-7-64-67(73)47-92(82(64)101)70-23-26-76(95)86-79(70)98)41-63-43-58(19-22-62(63)52-106-75-12-6-9-66-69(75)49-94(84(66)103)72-25-28-78(97)88-81(72)100)45-89-35-29-54(30-36-89)17-20-60-42-57(46-91-39-33-85(2,3)34-40-91)18-21-61(60)51-105-74-11-5-8-65-68(74)48-93(83(65)102)71-24-27-77(96)87-80(71)99/h4-16,18-19,21-22,42-43,53-54,59,70-72H,17,20,23-41,44-52H2,1-3H3,(H,86,95,98)(H,87,96,99)(H,88,97,100).

What are the key properties of 3-[7-[[4-[[4-[1-[5-[[4-[2-[5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]ethyl]piperidin-1-yl]methyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]propan-2-yl]piperidin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

3-[7-[[4-[[4-[1-[5-[[4-[2-[5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]ethyl]piperidin-1-yl]methyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]propan-2-yl]piperidin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 1436.76 g/mol, XLogP of 10.26, 24 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[7-[[4-[[4-[1-[5-[[4-[2-[5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]ethyl]piperidin-1-yl]methyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]propan-2-yl]piperidin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 134240472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).