3-bromopiperidine-2,6-dione;3-bromo-1,1,2,2-tetramethylcyclopropane;tert-butyl 4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;molecular hydrogen;3-[2-oxo-6-[[1-[1-(2,2,3,3-tetramethylcyclopropyl)piperidin-4-yl]pyrazol-4-yl]methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione;6-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-1H-benzo[cd]indol-2-one;6-[[1-[1-(2,2,3,3-tetramethylcyclopropyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;hydrochloride

C116H139Br2ClN18O10 — CID 167594778

About 3-bromopiperidine-2,6-dione;3-bromo-1,1,2,2-tetramethylcyclopropane;tert-butyl 4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;molecular hydrogen;3-[2-oxo-6-[[1-[1-(2,2,3,3-tetramethylcyclopropyl)piperidin-4-yl]pyrazol-4-yl]methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione;6-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-1H-benzo[cd]indol-2-one;6-[[1-[1-(2,2,3,3-tetramethylcyclopropyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;hydrochloride

3-bromopiperidine-2,6-dione;3-bromo-1,1,2,2-tetramethylcyclopropane;tert-butyl 4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;molecular hydrogen;3-[2-oxo-6-[[1-[1-(2,2,3,3-tetramethylcyclopropyl)piperidin-4-yl]pyrazol-4-yl]methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione;6-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-1H-benzo[cd]indol-2-one;6-[[1-[1-(2,2,3,3-tetramethylcyclopropyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;hydrochloride (PubChem CID 167594778) has the molecular formula C116H139Br2ClN18O10 and a molecular weight of 2140.76 g/mol. Its IUPAC name is 3-bromopiperidine-2,6-dione;3-bromo-1,1,2,2-tetramethylcyclopropane;tert-butyl 4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;molecular hydrogen;3-[2-oxo-6-[[1-[1-(2,2,3,3-tetramethylcyclopropyl)piperidin-4-yl]pyrazol-4-yl]methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione;6-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-1H-benzo[cd]indol-2-one;6-[[1-[1-(2,2,3,3-tetramethylcyclopropyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;hydrochloride.

Molecular Properties

• Compound Name: 3-bromopiperidine-2,6-dione;3-bromo-1,1,2,2-tetramethylcyclopropane;tert-butyl 4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;molecular hydrogen;3-[2-oxo-6-[[1-[1-(2,2,3,3-tetramethylcyclopropyl)piperidin-4-yl]pyrazol-4-yl]methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione;6-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-1H-benzo[cd]indol-2-one;6-[[1-[1-(2,2,3,3-tetramethylcyclopropyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;hydrochloride
• PubChem CID: 167594778
• Molecular Formula: C116H139Br2ClN18O10
• Molecular Weight: 2140.76 g/mol
• Exact Mass: 2136.90
• IUPAC Name: 3-bromopiperidine-2,6-dione;3-bromo-1,1,2,2-tetramethylcyclopropane;tert-butyl 4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;molecular hydrogen;3-[2-oxo-6-[[1-[1-(2,2,3,3-tetramethylcyclopropyl)piperidin-4-yl]pyrazol-4-yl]methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione;6-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-1H-benzo[cd]indol-2-one;6-[[1-[1-(2,2,3,3-tetramethylcyclopropyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;hydrochloride
• SMILES: CC(C)(C)OC(=O)N1CCC(n2cc(Cc3ccc4c5c(cccc35)C(=O)N4)cn2)CC1.CC1(C)C(Br)C1(C)C.CC1(C)C(N2CCC(n3cc(Cc4ccc5c6c(cccc46)C(=O)N5)cn3)CC2)C1(C)C.CC1(C)C(N2CCC(n3cc(Cc4ccc5c6c(cccc46)C(=O)N5C4CCC(=O)NC4=O)cn3)CC2)C1(C)C.Cl.O=C1CCC(Br)C(=O)N1.O=C1Nc2ccc(Cc3cnn(C4CCNCC4)c3)c3cccc1c23.[H][H]
• InChI: InChI=1S/C32H37N5O3.C27H32N4O.C25H28N4O3.C20H20N4O.C7H13Br.C5H6BrNO2.ClH.H2/c1-31(2)30(32(31,3)4)35-14-12-21(13-15-35)36-18-19(17-33-36)16-20-8-9-24-27-22(20)6-5-7-23(27)29(40)37(24)25-10-11-26(38)34-28(25)39;1-26(2)25(27(26,3)4)30-12-10-19(11-13-30)31-16-17(15-28-31)14-18-8-9-22-23-20(18)6-5-7-21(23)24(32)29-22;1-25(2,3)32-24(31)28-11-9-18(10-12-28)29-15-16(14-26-29)13-17-7-8-21-22-19(17)5-4-6-20(22)23(30)27-21;25-20-17-3-1-2-16-14(4-5-18(23-20)19(16)17)10-13-11-22-24(12-13)15-6-8-21-9-7-15;1-6(2)5(8)7(6,3)4;6-3-1-2-4(8)7-5(3)9;;/h5-9,17-18,21,25,30H,10-16H2,1-4H3,(H,34,38,39);5-9,15-16,19,25H,10-14H2,1-4H3,(H,29,32);4-8,14-15,18H,9-13H2,1-3H3,(H,27,30);1-5,11-12,15,21H,6-10H2,(H,23,25);5H,1-4H3;3H,1-2H2,(H,7,8,9);2*1H
• InChIKey: YKYIHWSAXBKRBJ-UHFFFAOYSA-N
• XLogP: 21.28
• TPSA: 319.28 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 21
• Rotatable Bonds: 15
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2140.76
LogP ≤ 5	21.28
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	21

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-bromo-1,1,2,2-tetramethylcyclopropane;tert-butyl 4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;molecular hydrogen;3-[2-oxo-6-[[1-[1-(2,2,3,3-tetramethylcyclopropyl)piperidin-4-yl]pyrazol-4-yl]methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione;6-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-1H-benzo[cd]indol-2-one;6-[[1-[1-(2,2,3,3-tetramethylcyclopropyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;hydrochloride?

The IUPAC name of 3-bromopiperidine-2,6-dione;3-bromo-1,1,2,2-tetramethylcyclopropane;tert-butyl 4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;molecular hydrogen;3-[2-oxo-6-[[1-[1-(2,2,3,3-tetramethylcyclopropyl)piperidin-4-yl]pyrazol-4-yl]methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione;6-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-1H-benzo[cd]indol-2-one;6-[[1-[1-(2,2,3,3-tetramethylcyclopropyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;hydrochloride (CID 167594778) is 3-bromopiperidine-2,6-dione;3-bromo-1,1,2,2-tetramethylcyclopropane;tert-butyl 4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;molecular hydrogen;3-[2-oxo-6-[[1-[1-(2,2,3,3-tetramethylcyclopropyl)piperidin-4-yl]pyrazol-4-yl]methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione;6-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-1H-benzo[cd]indol-2-one;6-[[1-[1-(2,2,3,3-tetramethylcyclopropyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;hydrochloride.

What is the SMILES notation for 3-bromopiperidine-2,6-dione;3-bromo-1,1,2,2-tetramethylcyclopropane;tert-butyl 4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;molecular hydrogen;3-[2-oxo-6-[[1-[1-(2,2,3,3-tetramethylcyclopropyl)piperidin-4-yl]pyrazol-4-yl]methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione;6-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-1H-benzo[cd]indol-2-one;6-[[1-[1-(2,2,3,3-tetramethylcyclopropyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;hydrochloride?

The canonical SMILES for 3-bromopiperidine-2,6-dione;3-bromo-1,1,2,2-tetramethylcyclopropane;tert-butyl 4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;molecular hydrogen;3-[2-oxo-6-[[1-[1-(2,2,3,3-tetramethylcyclopropyl)piperidin-4-yl]pyrazol-4-yl]methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione;6-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-1H-benzo[cd]indol-2-one;6-[[1-[1-(2,2,3,3-tetramethylcyclopropyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;hydrochloride is CC(C)(C)OC(=O)N1CCC(n2cc(Cc3ccc4c5c(cccc35)C(=O)N4)cn2)CC1.CC1(C)C(Br)C1(C)C.CC1(C)C(N2CCC(n3cc(Cc4ccc5c6c(cccc46)C(=O)N5)cn3)CC2)C1(C)C.CC1(C)C(N2CCC(n3cc(Cc4ccc5c6c(cccc46)C(=O)N5C4CCC(=O)NC4=O)cn3)CC2)C1(C)C.Cl.O=C1CCC(Br)C(=O)N1.O=C1Nc2ccc(Cc3cnn(C4CCNCC4)c3)c3cccc1c23.[H][H].

What is the InChIKey of 3-bromopiperidine-2,6-dione;3-bromo-1,1,2,2-tetramethylcyclopropane;tert-butyl 4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;molecular hydrogen;3-[2-oxo-6-[[1-[1-(2,2,3,3-tetramethylcyclopropyl)piperidin-4-yl]pyrazol-4-yl]methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione;6-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-1H-benzo[cd]indol-2-one;6-[[1-[1-(2,2,3,3-tetramethylcyclopropyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;hydrochloride?

The InChIKey is YKYIHWSAXBKRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N5O3.C27H32N4O.C25H28N4O3.C20H20N4O.C7H13Br.C5H6BrNO2.ClH.H2/c1-31(2)30(32(31,3)4)35-14-12-21(13-15-35)36-18-19(17-33-36)16-20-8-9-24-27-22(20)6-5-7-23(27)29(40)37(24)25-10-11-26(38)34-28(25)39;1-26(2)25(27(26,3)4)30-12-10-19(11-13-30)31-16-17(15-28-31)14-18-8-9-22-23-20(18)6-5-7-21(23)24(32)29-22;1-25(2,3)32-24(31)28-11-9-18(10-12-28)29-15-16(14-26-29)13-17-7-8-21-22-19(17)5-4-6-20(22)23(30)27-21;25-20-17-3-1-2-16-14(4-5-18(23-20)19(16)17)10-13-11-22-24(12-13)15-6-8-21-9-7-15;1-6(2)5(8)7(6,3)4;6-3-1-2-4(8)7-5(3)9;;/h5-9,17-18,21,25,30H,10-16H2,1-4H3,(H,34,38,39);5-9,15-16,19,25H,10-14H2,1-4H3,(H,29,32);4-8,14-15,18H,9-13H2,1-3H3,(H,27,30);1-5,11-12,15,21H,6-10H2,(H,23,25);5H,1-4H3;3H,1-2H2,(H,7,8,9);2*1H.

What are the key properties of 3-bromopiperidine-2,6-dione;3-bromo-1,1,2,2-tetramethylcyclopropane;tert-butyl 4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;molecular hydrogen;3-[2-oxo-6-[[1-[1-(2,2,3,3-tetramethylcyclopropyl)piperidin-4-yl]pyrazol-4-yl]methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione;6-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-1H-benzo[cd]indol-2-one;6-[[1-[1-(2,2,3,3-tetramethylcyclopropyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;hydrochloride?

3-bromopiperidine-2,6-dione;3-bromo-1,1,2,2-tetramethylcyclopropane;tert-butyl 4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;molecular hydrogen;3-[2-oxo-6-[[1-[1-(2,2,3,3-tetramethylcyclopropyl)piperidin-4-yl]pyrazol-4-yl]methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione;6-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-1H-benzo[cd]indol-2-one;6-[[1-[1-(2,2,3,3-tetramethylcyclopropyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;hydrochloride has a molecular weight of 2140.76 g/mol, XLogP of 21.28, 15 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromopiperidine-2,6-dione;3-bromo-1,1,2,2-tetramethylcyclopropane;tert-butyl 4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;molecular hydrogen;3-[2-oxo-6-[[1-[1-(2,2,3,3-tetramethylcyclopropyl)piperidin-4-yl]pyrazol-4-yl]methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione;6-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-1H-benzo[cd]indol-2-one;6-[[1-[1-(2,2,3,3-tetramethylcyclopropyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;hydrochloride is sourced from PubChem (CID 167594778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).