tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;3-[6-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;cubane-1-carboxylic acid;3-[2-oxo-6-[(1-piperidin-4-ylpyrazol-4-yl)methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione;hydrochloride

C98H98ClN15O14 — CID 167600743

About tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;3-[6-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;cubane-1-carboxylic acid;3-[2-oxo-6-[(1-piperidin-4-ylpyrazol-4-yl)methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione;hydrochloride

tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;3-[6-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;cubane-1-carboxylic acid;3-[2-oxo-6-[(1-piperidin-4-ylpyrazol-4-yl)methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione;hydrochloride (PubChem CID 167600743) has the molecular formula C98H98ClN15O14 and a molecular weight of 1745.41 g/mol. Its IUPAC name is tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;3-[6-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;cubane-1-carboxylic acid;3-[2-oxo-6-[(1-piperidin-4-ylpyrazol-4-yl)methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione;hydrochloride.

Molecular Properties

• Compound Name: tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;3-[6-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;cubane-1-carboxylic acid;3-[2-oxo-6-[(1-piperidin-4-ylpyrazol-4-yl)methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione;hydrochloride
• PubChem CID: 167600743
• Molecular Formula: C98H98ClN15O14
• Molecular Weight: 1745.41 g/mol
• Exact Mass: 1743.71
• IUPAC Name: tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;3-[6-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;cubane-1-carboxylic acid;3-[2-oxo-6-[(1-piperidin-4-ylpyrazol-4-yl)methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione;hydrochloride
• SMILES: CC(C)(C)OC(=O)N1CCC(n2cc(Cc3ccc4c5c(cccc35)C(=O)N4C3CCC(=O)NC3=O)cn2)CC1.Cl.O=C(O)C12C3C4C5C3C1C5C42.O=C1CCC(N2C(=O)c3cccc4c(Cc5cnn(C6CCN(C(=O)C78C9C%10C%11C9C7C%11C%108)CC6)c5)ccc2c34)C(=O)N1.O=C1CCC(N2C(=O)c3cccc4c(Cc5cnn(C6CCNCC6)c5)ccc2c34)C(=O)N1
• InChI: InChI=1S/C34H31N5O4.C30H33N5O5.C25H25N5O3.C9H8O2.ClH/c40-22-7-6-21(31(41)36-22)39-20-5-4-16(18-2-1-3-19(23(18)20)32(39)42)12-15-13-35-38(14-15)17-8-10-37(11-9-17)33(43)34-28-25-24-26(28)30(34)27(24)29(25)34;1-30(2,3)40-29(39)33-13-11-20(12-14-33)34-17-18(16-31-34)15-19-7-8-23-26-21(19)5-4-6-22(26)28(38)35(23)24-9-10-25(36)32-27(24)37;31-22-7-6-21(24(32)28-22)30-20-5-4-16(18-2-1-3-19(23(18)20)25(30)33)12-15-13-27-29(14-15)17-8-10-26-11-9-17;10-8(11)9-5-2-1-3(5)7(9)4(1)6(2)9;/h1-5,13-14,17,21,24-30H,6-12H2,(H,36,40,41);4-8,16-17,20,24H,9-15H2,1-3H3,(H,32,36,37);1-5,13-14,17,21,26H,6-12H2,(H,28,31,32);1-7H,(H,10,11);1H
• InChIKey: CRMJTPFSHCJECL-UHFFFAOYSA-N
• XLogP: 10.07
• TPSA: 352.08 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 20
• Rotatable Bonds: 14
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1745.41
LogP ≤ 5	10.07
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;3-[6-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;cubane-1-carboxylic acid;3-[2-oxo-6-[(1-piperidin-4-ylpyrazol-4-yl)methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione;hydrochloride?

The IUPAC name of tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;3-[6-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;cubane-1-carboxylic acid;3-[2-oxo-6-[(1-piperidin-4-ylpyrazol-4-yl)methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione;hydrochloride (CID 167600743) is tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;3-[6-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;cubane-1-carboxylic acid;3-[2-oxo-6-[(1-piperidin-4-ylpyrazol-4-yl)methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione;hydrochloride.

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

The canonical SMILES for tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;3-[6-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;cubane-1-carboxylic acid;3-[2-oxo-6-[(1-piperidin-4-ylpyrazol-4-yl)methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione;hydrochloride is CC(C)(C)OC(=O)N1CCC(n2cc(Cc3ccc4c5c(cccc35)C(=O)N4C3CCC(=O)NC3=O)cn2)CC1.Cl.O=C(O)C12C3C4C5C3C1C5C42.O=C1CCC(N2C(=O)c3cccc4c(Cc5cnn(C6CCN(C(=O)C78C9C%10C%11C9C7C%11C%108)CC6)c5)ccc2c34)C(=O)N1.O=C1CCC(N2C(=O)c3cccc4c(Cc5cnn(C6CCNCC6)c5)ccc2c34)C(=O)N1.

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

The InChIKey is CRMJTPFSHCJECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H31N5O4.C30H33N5O5.C25H25N5O3.C9H8O2.ClH/c40-22-7-6-21(31(41)36-22)39-20-5-4-16(18-2-1-3-19(23(18)20)32(39)42)12-15-13-35-38(14-15)17-8-10-37(11-9-17)33(43)34-28-25-24-26(28)30(34)27(24)29(25)34;1-30(2,3)40-29(39)33-13-11-20(12-14-33)34-17-18(16-31-34)15-19-7-8-23-26-21(19)5-4-6-22(26)28(38)35(23)24-9-10-25(36)32-27(24)37;31-22-7-6-21(24(32)28-22)30-20-5-4-16(18-2-1-3-19(23(18)20)25(30)33)12-15-13-27-29(14-15)17-8-10-26-11-9-17;10-8(11)9-5-2-1-3(5)7(9)4(1)6(2)9;/h1-5,13-14,17,21,24-30H,6-12H2,(H,36,40,41);4-8,16-17,20,24H,9-15H2,1-3H3,(H,32,36,37);1-5,13-14,17,21,26H,6-12H2,(H,28,31,32);1-7H,(H,10,11);1H.

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

tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;3-[6-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;cubane-1-carboxylic acid;3-[2-oxo-6-[(1-piperidin-4-ylpyrazol-4-yl)methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione;hydrochloride has a molecular weight of 1745.41 g/mol, XLogP of 10.07, 14 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;3-[6-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;cubane-1-carboxylic acid;3-[2-oxo-6-[(1-piperidin-4-ylpyrazol-4-yl)methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione;hydrochloride is sourced from PubChem (CID 167600743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).