bis(3-bromopiperidine-2,6-dione);bis(6-[[1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one);bis(3-[6-[[1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione)

C120H138Br2N16O16 — CID 167696846

About bis(3-bromopiperidine-2,6-dione);bis(6-[[1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one);bis(3-[6-[[1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione)

bis(3-bromopiperidine-2,6-dione);bis(6-[[1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one);bis(3-[6-[[1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione) (PubChem CID 167696846) has the molecular formula C120H138Br2N16O16 and a molecular weight of 2220.33 g/mol. Its IUPAC name is bis(3-bromopiperidine-2,6-dione);bis(6-[[1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one);bis(3-[6-[[1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione).

Molecular Properties

• Compound Name: bis(3-bromopiperidine-2,6-dione);bis(6-[[1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one);bis(3-[6-[[1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione)
• PubChem CID: 167696846
• Molecular Formula: C120H138Br2N16O16
• Molecular Weight: 2220.33 g/mol
• Exact Mass: 2216.88
• IUPAC Name: bis(3-bromopiperidine-2,6-dione);bis(6-[[1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one);bis(3-[6-[[1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione)
• SMILES: CC(C)(C)OC1CCC(n2cc(Cc3ccc4c5c(cccc35)C(=O)N4)cn2)CC1.CC(C)(C)OC1CCC(n2cc(Cc3ccc4c5c(cccc35)C(=O)N4)cn2)CC1.CC(C)(C)OC1CCC(n2cc(Cc3ccc4c5c(cccc35)C(=O)N4C3CCC(=O)NC3=O)cn2)CC1.CC(C)(C)OC1CCC(n2cc(Cc3ccc4c5c(cccc35)C(=O)N4C3CCC(=O)NC3=O)cn2)CC1.O=C1CCC(Br)C(=O)N1.O=C1CCC(Br)C(=O)N1
• InChI: InChI=1S/2C30H34N4O4.2C25H29N3O2.2C5H6BrNO2/c2*1-30(2,3)38-21-10-8-20(9-11-21)33-17-18(16-31-33)15-19-7-12-24-27-22(19)5-4-6-23(27)29(37)34(24)25-13-14-26(35)32-28(25)36;2*1-25(2,3)30-19-10-8-18(9-11-19)28-15-16(14-26-28)13-17-7-12-22-23-20(17)5-4-6-21(23)24(29)27-22;2*6-3-1-2-4(8)7-5(3)9/h2*4-7,12,16-17,20-21,25H,8-11,13-15H2,1-3H3,(H,32,35,36);2*4-7,12,14-15,18-19H,8-11,13H2,1-3H3,(H,27,29);2*3H,1-2H2,(H,7,8,9)
• InChIKey: XTYSUGFHJCPTEY-UHFFFAOYSA-N
• XLogP: 20.74
• TPSA: 391.70 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 18
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2220.33
LogP ≤ 5	20.74
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(3-bromopiperidine-2,6-dione);bis(6-[[1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one);bis(3-[6-[[1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione)?

The IUPAC name of bis(3-bromopiperidine-2,6-dione);bis(6-[[1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one);bis(3-[6-[[1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione) (CID 167696846) is bis(3-bromopiperidine-2,6-dione);bis(6-[[1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one);bis(3-[6-[[1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione).

What is the SMILES notation for bis(3-bromopiperidine-2,6-dione);bis(6-[[1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one);bis(3-[6-[[1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione)?

The canonical SMILES for bis(3-bromopiperidine-2,6-dione);bis(6-[[1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one);bis(3-[6-[[1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione) is CC(C)(C)OC1CCC(n2cc(Cc3ccc4c5c(cccc35)C(=O)N4)cn2)CC1.CC(C)(C)OC1CCC(n2cc(Cc3ccc4c5c(cccc35)C(=O)N4)cn2)CC1.CC(C)(C)OC1CCC(n2cc(Cc3ccc4c5c(cccc35)C(=O)N4C3CCC(=O)NC3=O)cn2)CC1.CC(C)(C)OC1CCC(n2cc(Cc3ccc4c5c(cccc35)C(=O)N4C3CCC(=O)NC3=O)cn2)CC1.O=C1CCC(Br)C(=O)N1.O=C1CCC(Br)C(=O)N1.

What is the InChIKey of bis(3-bromopiperidine-2,6-dione);bis(6-[[1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one);bis(3-[6-[[1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione)?

The InChIKey is XTYSUGFHJCPTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C30H34N4O4.2C25H29N3O2.2C5H6BrNO2/c2*1-30(2,3)38-21-10-8-20(9-11-21)33-17-18(16-31-33)15-19-7-12-24-27-22(19)5-4-6-23(27)29(37)34(24)25-13-14-26(35)32-28(25)36;2*1-25(2,3)30-19-10-8-18(9-11-19)28-15-16(14-26-28)13-17-7-12-22-23-20(17)5-4-6-21(23)24(29)27-22;2*6-3-1-2-4(8)7-5(3)9/h2*4-7,12,16-17,20-21,25H,8-11,13-15H2,1-3H3,(H,32,35,36);2*4-7,12,14-15,18-19H,8-11,13H2,1-3H3,(H,27,29);2*3H,1-2H2,(H,7,8,9).

What are the key properties of bis(3-bromopiperidine-2,6-dione);bis(6-[[1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one);bis(3-[6-[[1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione)?

bis(3-bromopiperidine-2,6-dione);bis(6-[[1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one);bis(3-[6-[[1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione) has a molecular weight of 2220.33 g/mol, XLogP of 20.74, 18 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for bis(3-bromopiperidine-2,6-dione);bis(6-[[1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one);bis(3-[6-[[1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione) is sourced from PubChem (CID 167696846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).