3-bromopiperidine-2,6-dione;3-[6-[[4-[4-methyl-1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]triazol-1-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;6-[[4-[4-methyl-1-[1-(trifluoromethyl)cyclopropanecarbonyl]piperidin-4-yl]triazol-1-yl]methyl]-1H-benzo[cd]indol-2-one

C60H62BrF3N12O8 — CID 167558615

About 3-bromopiperidine-2,6-dione;3-[6-[[4-[4-methyl-1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]triazol-1-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;6-[[4-[4-methyl-1-[1-(trifluoromethyl)cyclopropanecarbonyl]piperidin-4-yl]triazol-1-yl]methyl]-1H-benzo[cd]indol-2-one

3-bromopiperidine-2,6-dione;3-[6-[[4-[4-methyl-1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]triazol-1-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;6-[[4-[4-methyl-1-[1-(trifluoromethyl)cyclopropanecarbonyl]piperidin-4-yl]triazol-1-yl]methyl]-1H-benzo[cd]indol-2-one (PubChem CID 167558615) has the molecular formula C60H62BrF3N12O8 and a molecular weight of 1216.13 g/mol. Its IUPAC name is 3-bromopiperidine-2,6-dione;3-[6-[[4-[4-methyl-1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]triazol-1-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;6-[[4-[4-methyl-1-[1-(trifluoromethyl)cyclopropanecarbonyl]piperidin-4-yl]triazol-1-yl]methyl]-1H-benzo[cd]indol-2-one.

Molecular Properties

• Compound Name: 3-bromopiperidine-2,6-dione;3-[6-[[4-[4-methyl-1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]triazol-1-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;6-[[4-[4-methyl-1-[1-(trifluoromethyl)cyclopropanecarbonyl]piperidin-4-yl]triazol-1-yl]methyl]-1H-benzo[cd]indol-2-one
• PubChem CID: 167558615
• Molecular Formula: C60H62BrF3N12O8
• Molecular Weight: 1216.13 g/mol
• Exact Mass: 1214.39
• IUPAC Name: 3-bromopiperidine-2,6-dione;3-[6-[[4-[4-methyl-1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]triazol-1-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;6-[[4-[4-methyl-1-[1-(trifluoromethyl)cyclopropanecarbonyl]piperidin-4-yl]triazol-1-yl]methyl]-1H-benzo[cd]indol-2-one
• SMILES: CC1(C(=O)N2CCC(C)(c3cn(Cc4ccc5c6c(cccc46)C(=O)N5C4CCC(=O)NC4=O)nn3)CC2)CC1.CC1(c2cn(Cc3ccc4c5c(cccc35)C(=O)N4)nn2)CCN(C(=O)C2(C(F)(F)F)CC2)CC1.O=C1CCC(Br)C(=O)N1
• InChI: InChI=1S/C30H32N6O4.C25H24F3N5O2.C5H6BrNO2/c1-29(12-14-34(15-13-29)28(40)30(2)10-11-30)23-17-35(33-32-23)16-18-6-7-21-25-19(18)4-3-5-20(25)27(39)36(21)22-8-9-24(37)31-26(22)38;1-23(9-11-32(12-10-23)22(35)24(7-8-24)25(26,27)28)19-14-33(31-30-19)13-15-5-6-18-20-16(15)3-2-4-17(20)21(34)29-18;6-3-1-2-4(8)7-5(3)9/h3-7,17,22H,8-16H2,1-2H3,(H,31,37,38);2-6,14H,7-13H2,1H3,(H,29,34);3H,1-2H2,(H,7,8,9)
• InChIKey: DIMHIGLKCYGBAE-UHFFFAOYSA-N
• XLogP: 7.38
• TPSA: 243.79 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 9
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1216.13
LogP ≤ 5	7.38
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

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 3-bromopiperidine-2,6-dione;3-[6-[[4-[4-methyl-1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]triazol-1-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;6-[[4-[4-methyl-1-[1-(trifluoromethyl)cyclopropanecarbonyl]piperidin-4-yl]triazol-1-yl]methyl]-1H-benzo[cd]indol-2-one?

The IUPAC name of 3-bromopiperidine-2,6-dione;3-[6-[[4-[4-methyl-1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]triazol-1-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;6-[[4-[4-methyl-1-[1-(trifluoromethyl)cyclopropanecarbonyl]piperidin-4-yl]triazol-1-yl]methyl]-1H-benzo[cd]indol-2-one (CID 167558615) is 3-bromopiperidine-2,6-dione;3-[6-[[4-[4-methyl-1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]triazol-1-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;6-[[4-[4-methyl-1-[1-(trifluoromethyl)cyclopropanecarbonyl]piperidin-4-yl]triazol-1-yl]methyl]-1H-benzo[cd]indol-2-one.

What is the SMILES notation for 3-bromopiperidine-2,6-dione;3-[6-[[4-[4-methyl-1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]triazol-1-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;6-[[4-[4-methyl-1-[1-(trifluoromethyl)cyclopropanecarbonyl]piperidin-4-yl]triazol-1-yl]methyl]-1H-benzo[cd]indol-2-one?

The canonical SMILES for 3-bromopiperidine-2,6-dione;3-[6-[[4-[4-methyl-1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]triazol-1-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;6-[[4-[4-methyl-1-[1-(trifluoromethyl)cyclopropanecarbonyl]piperidin-4-yl]triazol-1-yl]methyl]-1H-benzo[cd]indol-2-one is CC1(C(=O)N2CCC(C)(c3cn(Cc4ccc5c6c(cccc46)C(=O)N5C4CCC(=O)NC4=O)nn3)CC2)CC1.CC1(c2cn(Cc3ccc4c5c(cccc35)C(=O)N4)nn2)CCN(C(=O)C2(C(F)(F)F)CC2)CC1.O=C1CCC(Br)C(=O)N1.

What is the InChIKey of 3-bromopiperidine-2,6-dione;3-[6-[[4-[4-methyl-1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]triazol-1-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;6-[[4-[4-methyl-1-[1-(trifluoromethyl)cyclopropanecarbonyl]piperidin-4-yl]triazol-1-yl]methyl]-1H-benzo[cd]indol-2-one?

The InChIKey is DIMHIGLKCYGBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N6O4.C25H24F3N5O2.C5H6BrNO2/c1-29(12-14-34(15-13-29)28(40)30(2)10-11-30)23-17-35(33-32-23)16-18-6-7-21-25-19(18)4-3-5-20(25)27(39)36(21)22-8-9-24(37)31-26(22)38;1-23(9-11-32(12-10-23)22(35)24(7-8-24)25(26,27)28)19-14-33(31-30-19)13-15-5-6-18-20-16(15)3-2-4-17(20)21(34)29-18;6-3-1-2-4(8)7-5(3)9/h3-7,17,22H,8-16H2,1-2H3,(H,31,37,38);2-6,14H,7-13H2,1H3,(H,29,34);3H,1-2H2,(H,7,8,9).

What are the key properties of 3-bromopiperidine-2,6-dione;3-[6-[[4-[4-methyl-1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]triazol-1-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;6-[[4-[4-methyl-1-[1-(trifluoromethyl)cyclopropanecarbonyl]piperidin-4-yl]triazol-1-yl]methyl]-1H-benzo[cd]indol-2-one?

3-bromopiperidine-2,6-dione;3-[6-[[4-[4-methyl-1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]triazol-1-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;6-[[4-[4-methyl-1-[1-(trifluoromethyl)cyclopropanecarbonyl]piperidin-4-yl]triazol-1-yl]methyl]-1H-benzo[cd]indol-2-one has a molecular weight of 1216.13 g/mol, XLogP of 7.38, 9 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromopiperidine-2,6-dione;3-[6-[[4-[4-methyl-1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]triazol-1-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;6-[[4-[4-methyl-1-[1-(trifluoromethyl)cyclopropanecarbonyl]piperidin-4-yl]triazol-1-yl]methyl]-1H-benzo[cd]indol-2-one is sourced from PubChem (CID 167558615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).