3-bromopiperidine-2,6-dione;tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]-4-methylpiperidine-1-carboxylate;tert-butyl 4-methyl-4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;1-methylcyclobutane-1-carboxylic acid;3-[6-[[1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-(4-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;hydrochloride

C126H144BrClN20O19 — CID 167683810

About 3-bromopiperidine-2,6-dione;tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]-4-methylpiperidine-1-carboxylate;tert-butyl 4-methyl-4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;1-methylcyclobutane-1-carboxylic acid;3-[6-[[1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-(4-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;hydrochloride

3-bromopiperidine-2,6-dione;tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]-4-methylpiperidine-1-carboxylate;tert-butyl 4-methyl-4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;1-methylcyclobutane-1-carboxylic acid;3-[6-[[1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-(4-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;hydrochloride (PubChem CID 167683810) has the molecular formula C126H144BrClN20O19 and a molecular weight of 2358.02 g/mol. Its IUPAC name is 3-bromopiperidine-2,6-dione;tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]-4-methylpiperidine-1-carboxylate;tert-butyl 4-methyl-4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;1-methylcyclobutane-1-carboxylic acid;3-[6-[[1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-(4-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;hydrochloride.

Molecular Properties

• Compound Name: 3-bromopiperidine-2,6-dione;tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]-4-methylpiperidine-1-carboxylate;tert-butyl 4-methyl-4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;1-methylcyclobutane-1-carboxylic acid;3-[6-[[1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-(4-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;hydrochloride
• PubChem CID: 167683810
• Molecular Formula: C126H144BrClN20O19
• Molecular Weight: 2358.02 g/mol
• Exact Mass: 2354.98
• IUPAC Name: 3-bromopiperidine-2,6-dione;tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]-4-methylpiperidine-1-carboxylate;tert-butyl 4-methyl-4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;1-methylcyclobutane-1-carboxylic acid;3-[6-[[1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-(4-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;hydrochloride
• SMILES: CC(C)(C)OC(=O)N1CCC(C)(n2cc(Cc3ccc4c5c(cccc35)C(=O)N4)cn2)CC1.CC(C)(C)OC(=O)N1CCC(C)(n2cc(Cc3ccc4c5c(cccc35)C(=O)N4C3CCC(=O)NC3=O)cn2)CC1.CC1(C(=O)N2CCC(C)(n3cc(Cc4ccc5c6c(cccc46)C(=O)N5C4CCC(=O)NC4=O)cn3)CC2)CCC1.CC1(C(=O)O)CCC1.CC1(n2cc(Cc3ccc4c5c(cccc35)C(=O)N4C3CCC(=O)NC3=O)cn2)CCNCC1.Cl.O=C1CCC(Br)C(=O)N1
• InChI: InChI=1S/C32H35N5O4.C31H35N5O5.C26H27N5O3.C26H30N4O3.C6H10O2.C5H6BrNO2.ClH/c1-31(11-4-12-31)30(41)35-15-13-32(2,14-16-35)36-19-20(18-33-36)17-21-7-8-24-27-22(21)5-3-6-23(27)29(40)37(24)25-9-10-26(38)34-28(25)39;1-30(2,3)41-29(40)34-14-12-31(4,13-15-34)35-18-19(17-32-35)16-20-8-9-23-26-21(20)6-5-7-22(26)28(39)36(23)24-10-11-25(37)33-27(24)38;1-26(9-11-27-12-10-26)30-15-16(14-28-30)13-17-5-6-20-23-18(17)3-2-4-19(23)25(34)31(20)21-7-8-22(32)29-24(21)33;1-25(2,3)33-24(32)29-12-10-26(4,11-13-29)30-16-17(15-27-30)14-18-8-9-21-22-19(18)6-5-7-20(22)23(31)28-21;1-6(5(7)8)3-2-4-6;6-3-1-2-4(8)7-5(3)9;/h3,5-8,18-19,25H,4,9-17H2,1-2H3,(H,34,38,39);5-9,17-18,24H,10-16H2,1-4H3,(H,33,37,38);2-6,14-15,21,27H,7-13H2,1H3,(H,29,32,33);5-9,15-16H,10-14H2,1-4H3,(H,28,31);2-4H2,1H3,(H,7,8);3H,1-2H2,(H,7,8,9);1H
• InChIKey: NMPHIGYUBIANNT-UHFFFAOYSA-N
• XLogP: 17.36
• TPSA: 474.71 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 27
• Rotatable Bonds: 17
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2358.02
LogP ≤ 5	17.36
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	27

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;tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]-4-methylpiperidine-1-carboxylate;tert-butyl 4-methyl-4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;1-methylcyclobutane-1-carboxylic acid;3-[6-[[1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-(4-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;hydrochloride?

The IUPAC name of 3-bromopiperidine-2,6-dione;tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]-4-methylpiperidine-1-carboxylate;tert-butyl 4-methyl-4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;1-methylcyclobutane-1-carboxylic acid;3-[6-[[1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-(4-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;hydrochloride (CID 167683810) is 3-bromopiperidine-2,6-dione;tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]-4-methylpiperidine-1-carboxylate;tert-butyl 4-methyl-4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;1-methylcyclobutane-1-carboxylic acid;3-[6-[[1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-(4-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;hydrochloride.

What is the SMILES notation for 3-bromopiperidine-2,6-dione;tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]-4-methylpiperidine-1-carboxylate;tert-butyl 4-methyl-4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;1-methylcyclobutane-1-carboxylic acid;3-[6-[[1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-(4-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;hydrochloride?

The canonical SMILES for 3-bromopiperidine-2,6-dione;tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]-4-methylpiperidine-1-carboxylate;tert-butyl 4-methyl-4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;1-methylcyclobutane-1-carboxylic acid;3-[6-[[1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-(4-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;hydrochloride is CC(C)(C)OC(=O)N1CCC(C)(n2cc(Cc3ccc4c5c(cccc35)C(=O)N4)cn2)CC1.CC(C)(C)OC(=O)N1CCC(C)(n2cc(Cc3ccc4c5c(cccc35)C(=O)N4C3CCC(=O)NC3=O)cn2)CC1.CC1(C(=O)N2CCC(C)(n3cc(Cc4ccc5c6c(cccc46)C(=O)N5C4CCC(=O)NC4=O)cn3)CC2)CCC1.CC1(C(=O)O)CCC1.CC1(n2cc(Cc3ccc4c5c(cccc35)C(=O)N4C3CCC(=O)NC3=O)cn2)CCNCC1.Cl.O=C1CCC(Br)C(=O)N1.

What is the InChIKey of 3-bromopiperidine-2,6-dione;tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]-4-methylpiperidine-1-carboxylate;tert-butyl 4-methyl-4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;1-methylcyclobutane-1-carboxylic acid;3-[6-[[1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-(4-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;hydrochloride?

The InChIKey is NMPHIGYUBIANNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N5O4.C31H35N5O5.C26H27N5O3.C26H30N4O3.C6H10O2.C5H6BrNO2.ClH/c1-31(11-4-12-31)30(41)35-15-13-32(2,14-16-35)36-19-20(18-33-36)17-21-7-8-24-27-22(21)5-3-6-23(27)29(40)37(24)25-9-10-26(38)34-28(25)39;1-30(2,3)41-29(40)34-14-12-31(4,13-15-34)35-18-19(17-32-35)16-20-8-9-23-26-21(20)6-5-7-22(26)28(39)36(23)24-10-11-25(37)33-27(24)38;1-26(9-11-27-12-10-26)30-15-16(14-28-30)13-17-5-6-20-23-18(17)3-2-4-19(23)25(34)31(20)21-7-8-22(32)29-24(21)33;1-25(2,3)33-24(32)29-12-10-26(4,11-13-29)30-16-17(15-27-30)14-18-8-9-21-22-19(18)6-5-7-20(22)23(31)28-21;1-6(5(7)8)3-2-4-6;6-3-1-2-4(8)7-5(3)9;/h3,5-8,18-19,25H,4,9-17H2,1-2H3,(H,34,38,39);5-9,17-18,24H,10-16H2,1-4H3,(H,33,37,38);2-6,14-15,21,27H,7-13H2,1H3,(H,29,32,33);5-9,15-16H,10-14H2,1-4H3,(H,28,31);2-4H2,1H3,(H,7,8);3H,1-2H2,(H,7,8,9);1H.

What are the key properties of 3-bromopiperidine-2,6-dione;tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]-4-methylpiperidine-1-carboxylate;tert-butyl 4-methyl-4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;1-methylcyclobutane-1-carboxylic acid;3-[6-[[1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-(4-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;hydrochloride?

3-bromopiperidine-2,6-dione;tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]-4-methylpiperidine-1-carboxylate;tert-butyl 4-methyl-4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;1-methylcyclobutane-1-carboxylic acid;3-[6-[[1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-(4-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;hydrochloride has a molecular weight of 2358.02 g/mol, XLogP of 17.36, 17 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromopiperidine-2,6-dione;tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]-4-methylpiperidine-1-carboxylate;tert-butyl 4-methyl-4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;1-methylcyclobutane-1-carboxylic acid;3-[6-[[1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-(4-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;hydrochloride is sourced from PubChem (CID 167683810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).