2-(2,6-dioxopiperidin-3-yl)-5-[4-[[4-[2-[4-(5-methylpyrido[4,3-b]indol-7-yl)piperidin-1-yl]ethyl]piperidin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione

C43H51N7O4 — CID 165371118

About 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[4-[2-[4-(5-methylpyrido[4,3-b]indol-7-yl)piperidin-1-yl]ethyl]piperidin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-[4-[[4-[2-[4-(5-methylpyrido[4,3-b]indol-7-yl)piperidin-1-yl]ethyl]piperidin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione (PubChem CID 165371118) has the molecular formula C43H51N7O4 and a molecular weight of 729.93 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[4-[2-[4-(5-methylpyrido[4,3-b]indol-7-yl)piperidin-1-yl]ethyl]piperidin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[4-[2-[4-(5-methylpyrido[4,3-b]indol-7-yl)piperidin-1-yl]ethyl]piperidin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione
• PubChem CID: 165371118
• Molecular Formula: C43H51N7O4
• Molecular Weight: 729.93 g/mol
• Exact Mass: 729.40
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[4-[2-[4-(5-methylpyrido[4,3-b]indol-7-yl)piperidin-1-yl]ethyl]piperidin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione
• SMILES: Cn1c2ccncc2c2ccc(C3CCN(CCC4CCN(CC5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)CC3)cc21
• InChI: InChI=1S/C43H51N7O4/c1-46-37-8-16-44-26-36(37)33-4-2-31(24-39(33)46)30-14-20-47(21-15-30)17-9-28-10-18-48(19-11-28)27-29-12-22-49(23-13-29)32-3-5-34-35(25-32)43(54)50(42(34)53)38-6-7-40(51)45-41(38)52/h2-5,8,16,24-26,28-30,38H,6-7,9-15,17-23,27H2,1H3,(H,45,51,52)
• InChIKey: LFXVNFWMVJWRSX-UHFFFAOYSA-N
• XLogP: 5.33
• TPSA: 111.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	729.93
LogP ≤ 5	5.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[4-[2-[4-(5-methylpyrido[4,3-b]indol-7-yl)piperidin-1-yl]ethyl]piperidin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[4-[2-[4-(5-methylpyrido[4,3-b]indol-7-yl)piperidin-1-yl]ethyl]piperidin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione (CID 165371118) is 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[4-[2-[4-(5-methylpyrido[4,3-b]indol-7-yl)piperidin-1-yl]ethyl]piperidin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione.

What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[4-[2-[4-(5-methylpyrido[4,3-b]indol-7-yl)piperidin-1-yl]ethyl]piperidin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione?

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[4-[2-[4-(5-methylpyrido[4,3-b]indol-7-yl)piperidin-1-yl]ethyl]piperidin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione is Cn1c2ccncc2c2ccc(C3CCN(CCC4CCN(CC5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)CC3)cc21.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[4-[2-[4-(5-methylpyrido[4,3-b]indol-7-yl)piperidin-1-yl]ethyl]piperidin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione?

The InChIKey is LFXVNFWMVJWRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H51N7O4/c1-46-37-8-16-44-26-36(37)33-4-2-31(24-39(33)46)30-14-20-47(21-15-30)17-9-28-10-18-48(19-11-28)27-29-12-22-49(23-13-29)32-3-5-34-35(25-32)43(54)50(42(34)53)38-6-7-40(51)45-41(38)52/h2-5,8,16,24-26,28-30,38H,6-7,9-15,17-23,27H2,1H3,(H,45,51,52).

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[4-[2-[4-(5-methylpyrido[4,3-b]indol-7-yl)piperidin-1-yl]ethyl]piperidin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione?

2-(2,6-dioxopiperidin-3-yl)-5-[4-[[4-[2-[4-(5-methylpyrido[4,3-b]indol-7-yl)piperidin-1-yl]ethyl]piperidin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione has a molecular weight of 729.93 g/mol, XLogP of 5.33, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[4-[2-[4-(5-methylpyrido[4,3-b]indol-7-yl)piperidin-1-yl]ethyl]piperidin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione is sourced from PubChem (CID 165371118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).