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

C124H146Br2N16O12 — CID 167617249

IUPACbis(3-bromopiperidine-2,6-dione);bis(6-[[1-[4-(2,2-dimethylpropyl)cyclohexyl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one);bis(3-[6-[[1-[4-(2,2-dimethylpropyl)cyclohexyl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione)
SMILESCC(C)(C)CC1CCC(n2cc(Cc3ccc4c5c(cccc35)C(=O)N4)cn2)CC1.CC(C)(C)CC1CCC(n2cc(Cc3ccc4c5c(cccc35)C(=O)N4)cn2)CC1.CC(C)(C)CC1CCC(n2cc(Cc3ccc4c5c(cccc35)C(=O)N4C3CCC(=O)NC3=O)cn2)CC1.CC(C)(C)CC1CCC(n2cc(Cc3ccc4c5c(cccc35)C(=O)N4C3CCC(=O)NC3=O)cn2)CC1.O=C1CCC(Br)C(=O)N1.O=C1CCC(Br)C(=O)N1
InChIInChI=1S/2C31H36N4O3.2C26H31N3O.2C5H6BrNO2/c2*1-31(2,3)16-19-7-10-22(11-8-19)34-18-20(17-32-34)15-21-9-12-25-28-23(21)5-4-6-24(28)30(38)35(25)26-13-14-27(36)33-29(26)37;2*1-26(2,3)14-17-7-10-20(11-8-17)29-16-18(15-27-29)13-19-9-12-23-24-21(19)5-4-6-22(24)25(30)28-23;2*6-3-1-2-4(8)7-5(3)9/h2*4-6,9,12,17-19,22,26H,7-8,10-11,13-16H2,1-3H3,(H,33,36,37);2*4-6,9,12,15-17,20H,7-8,10-11,13-14H2,1-3H3,(H,28,30);2*3H,1-2H2,(H,7,8,9)
InChIKeyLXNDFRYTMWMPAS-UHFFFAOYSA-N
MW2212.44 g/mol
LogP24.21
Rot. Bonds18

About bis(3-bromopiperidine-2,6-dione);bis(6-[[1-[4-(2,2-dimethylpropyl)cyclohexyl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one);bis(3-[6-[[1-[4-(2,2-dimethylpropyl)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-(2,2-dimethylpropyl)cyclohexyl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one);bis(3-[6-[[1-[4-(2,2-dimethylpropyl)cyclohexyl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione) (PubChem CID 167617249) has the molecular formula C124H146Br2N16O12 and a molecular weight of 2212.44 g/mol. Its IUPAC name is bis(3-bromopiperidine-2,6-dione);bis(6-[[1-[4-(2,2-dimethylpropyl)cyclohexyl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one);bis(3-[6-[[1-[4-(2,2-dimethylpropyl)cyclohexyl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione).

Molecular Properties

Compound Namebis(3-bromopiperidine-2,6-dione);bis(6-[[1-[4-(2,2-dimethylpropyl)cyclohexyl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one);bis(3-[6-[[1-[4-(2,2-dimethylpropyl)cyclohexyl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione)
PubChem CID167617249
Molecular FormulaC124H146Br2N16O12
Molecular Weight2212.44 g/mol
Exact Mass2208.97
IUPAC Namebis(3-bromopiperidine-2,6-dione);bis(6-[[1-[4-(2,2-dimethylpropyl)cyclohexyl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one);bis(3-[6-[[1-[4-(2,2-dimethylpropyl)cyclohexyl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione)
SMILESCC(C)(C)CC1CCC(n2cc(Cc3ccc4c5c(cccc35)C(=O)N4)cn2)CC1.CC(C)(C)CC1CCC(n2cc(Cc3ccc4c5c(cccc35)C(=O)N4)cn2)CC1.CC(C)(C)CC1CCC(n2cc(Cc3ccc4c5c(cccc35)C(=O)N4C3CCC(=O)NC3=O)cn2)CC1.CC(C)(C)CC1CCC(n2cc(Cc3ccc4c5c(cccc35)C(=O)N4C3CCC(=O)NC3=O)cn2)CC1.O=C1CCC(Br)C(=O)N1.O=C1CCC(Br)C(=O)N1
InChIInChI=1S/2C31H36N4O3.2C26H31N3O.2C5H6BrNO2/c2*1-31(2,3)16-19-7-10-22(11-8-19)34-18-20(17-32-34)15-21-9-12-25-28-23(21)5-4-6-24(28)30(38)35(25)26-13-14-27(36)33-29(26)37;2*1-26(2,3)14-17-7-10-20(11-8-17)29-16-18(15-27-29)13-19-9-12-23-24-21(19)5-4-6-22(24)25(30)28-23;2*6-3-1-2-4(8)7-5(3)9/h2*4-6,9,12,17-19,22,26H,7-8,10-11,13-16H2,1-3H3,(H,33,36,37);2*4-6,9,12,15-17,20H,7-8,10-11,13-14H2,1-3H3,(H,28,30);2*3H,1-2H2,(H,7,8,9)
InChIKeyLXNDFRYTMWMPAS-UHFFFAOYSA-N
XLogP24.21
TPSA354.78 Ų
H-Bond Donors6
H-Bond Acceptors20
Rotatable Bonds18
Heavy Atoms154
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002212.44
LogP ≤ 524.21
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(3-bromopiperidine-2,6-dione);bis(6-[[1-[4-(2,2-dimethylpropyl)cyclohexyl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one);bis(3-[6-[[1-[4-(2,2-dimethylpropyl)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-(2,2-dimethylpropyl)cyclohexyl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one);bis(3-[6-[[1-[4-(2,2-dimethylpropyl)cyclohexyl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione) (CID 167617249) is bis(3-bromopiperidine-2,6-dione);bis(6-[[1-[4-(2,2-dimethylpropyl)cyclohexyl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one);bis(3-[6-[[1-[4-(2,2-dimethylpropyl)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-(2,2-dimethylpropyl)cyclohexyl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one);bis(3-[6-[[1-[4-(2,2-dimethylpropyl)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-(2,2-dimethylpropyl)cyclohexyl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one);bis(3-[6-[[1-[4-(2,2-dimethylpropyl)cyclohexyl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione) is CC(C)(C)CC1CCC(n2cc(Cc3ccc4c5c(cccc35)C(=O)N4)cn2)CC1.CC(C)(C)CC1CCC(n2cc(Cc3ccc4c5c(cccc35)C(=O)N4)cn2)CC1.CC(C)(C)CC1CCC(n2cc(Cc3ccc4c5c(cccc35)C(=O)N4C3CCC(=O)NC3=O)cn2)CC1.CC(C)(C)CC1CCC(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-(2,2-dimethylpropyl)cyclohexyl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one);bis(3-[6-[[1-[4-(2,2-dimethylpropyl)cyclohexyl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione)?
The InChIKey is LXNDFRYTMWMPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C31H36N4O3.2C26H31N3O.2C5H6BrNO2/c2*1-31(2,3)16-19-7-10-22(11-8-19)34-18-20(17-32-34)15-21-9-12-25-28-23(21)5-4-6-24(28)30(38)35(25)26-13-14-27(36)33-29(26)37;2*1-26(2,3)14-17-7-10-20(11-8-17)29-16-18(15-27-29)13-19-9-12-23-24-21(19)5-4-6-22(24)25(30)28-23;2*6-3-1-2-4(8)7-5(3)9/h2*4-6,9,12,17-19,22,26H,7-8,10-11,13-16H2,1-3H3,(H,33,36,37);2*4-6,9,12,15-17,20H,7-8,10-11,13-14H2,1-3H3,(H,28,30);2*3H,1-2H2,(H,7,8,9).
What are the key properties of bis(3-bromopiperidine-2,6-dione);bis(6-[[1-[4-(2,2-dimethylpropyl)cyclohexyl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one);bis(3-[6-[[1-[4-(2,2-dimethylpropyl)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-(2,2-dimethylpropyl)cyclohexyl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one);bis(3-[6-[[1-[4-(2,2-dimethylpropyl)cyclohexyl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione) has a molecular weight of 2212.44 g/mol, XLogP of 24.21, 18 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-bromopiperidine-2,6-dione);bis(6-[[1-[4-(2,2-dimethylpropyl)cyclohexyl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one);bis(3-[6-[[1-[4-(2,2-dimethylpropyl)cyclohexyl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione) is sourced from PubChem (CID 167617249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).