3-(6-amino-2-oxobenzo[cd]indol-1-yl)piperidine-2,6-dione;tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]-difluoromethyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]-hydroxymethyl]pyrazol-1-yl]piperidine-1-carboxylate;N-tert-butyl-4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]-N-methylpiperidine-1-carboxamide;3-[6-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione

C164H172F2N28O27 — CID 167628914

About 3-(6-amino-2-oxobenzo[cd]indol-1-yl)piperidine-2,6-dione;tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]-difluoromethyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]-hydroxymethyl]pyrazol-1-yl]piperidine-1-carboxylate;N-tert-butyl-4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]-N-methylpiperidine-1-carboxamide;3-[6-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione

3-(6-amino-2-oxobenzo[cd]indol-1-yl)piperidine-2,6-dione;tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]-difluoromethyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]-hydroxymethyl]pyrazol-1-yl]piperidine-1-carboxylate;N-tert-butyl-4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]-N-methylpiperidine-1-carboxamide;3-[6-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione (PubChem CID 167628914) has the molecular formula C164H172F2N28O27 and a molecular weight of 3005.34 g/mol. Its IUPAC name is 3-(6-amino-2-oxobenzo[cd]indol-1-yl)piperidine-2,6-dione;tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]-difluoromethyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]-hydroxymethyl]pyrazol-1-yl]piperidine-1-carboxylate;N-tert-butyl-4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]-N-methylpiperidine-1-carboxamide;3-[6-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-(6-amino-2-oxobenzo[cd]indol-1-yl)piperidine-2,6-dione;tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]-difluoromethyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]-hydroxymethyl]pyrazol-1-yl]piperidine-1-carboxylate;N-tert-butyl-4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]-N-methylpiperidine-1-carboxamide;3-[6-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione
• PubChem CID: 167628914
• Molecular Formula: C164H172F2N28O27
• Molecular Weight: 3005.34 g/mol
• Exact Mass: 3003.29
• IUPAC Name: 3-(6-amino-2-oxobenzo[cd]indol-1-yl)piperidine-2,6-dione;tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]-difluoromethyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]-hydroxymethyl]pyrazol-1-yl]piperidine-1-carboxylate;N-tert-butyl-4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]-N-methylpiperidine-1-carboxamide;3-[6-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione
• SMILES: CC(C)(C)OC(=O)N1CCC(n2cc(C(F)(F)c3ccc4c5c(cccc35)C(=O)N4C3CCC(=O)NC3=O)cn2)CC1.CC(C)(C)OC(=O)N1CCC(n2cc(C(O)c3ccc4c5c(cccc35)C(=O)N4C3CCC(=O)NC3=O)cn2)CC1.CC(C)(C)OC(=O)N1CCC(n2cc(Nc3ccc4c5c(cccc35)C(=O)N4C3CCC(=O)NC3=O)cn2)CC1.CN(C(=O)N1CCC(n2cc(Cc3ccc4c5c(cccc35)C(=O)N4C3CCC(=O)NC3=O)cn2)CC1)C(C)(C)C.Nc1ccc2c3c(cccc13)C(=O)N2C1CCC(=O)NC1=O.O=C1CCC(N2C(=O)c3cccc4c(Cc5ccc(CN6CCOCC6)cc5)ccc2c34)C(=O)N1
• InChI: InChI=1S/C31H36N6O4.C30H31F2N5O5.C30H33N5O6.C29H32N6O5.C28H27N3O4.C16H13N3O3/c1-31(2,3)34(4)30(41)35-14-12-21(13-15-35)36-18-19(17-32-36)16-20-8-9-24-27-22(20)6-5-7-23(27)29(40)37(24)25-10-11-26(38)33-28(25)39;1-29(2,3)42-28(41)35-13-11-18(12-14-35)36-16-17(15-33-36)30(31,32)21-7-8-22-25-19(21)5-4-6-20(25)27(40)37(22)23-9-10-24(38)34-26(23)39;1-30(2,3)41-29(40)33-13-11-18(12-14-33)34-16-17(15-31-34)26(37)20-7-8-22-25-19(20)5-4-6-21(25)28(39)35(22)23-9-10-24(36)32-27(23)38;1-29(2,3)40-28(39)33-13-11-18(12-14-33)34-16-17(15-30-34)31-21-7-8-22-25-19(21)5-4-6-20(25)27(38)35(22)23-9-10-24(36)32-26(23)37;32-25-11-10-24(27(33)29-25)31-23-9-8-20(21-2-1-3-22(26(21)23)28(31)34)16-18-4-6-19(7-5-18)17-30-12-14-35-15-13-30;17-10-4-5-11-14-8(10)2-1-3-9(14)16(22)19(11)12-6-7-13(20)18-15(12)21/h5-9,17-18,21,25H,10-16H2,1-4H3,(H,33,38,39);4-8,15-16,18,23H,9-14H2,1-3H3,(H,34,38,39);4-8,15-16,18,23,26,37H,9-14H2,1-3H3,(H,32,36,38);4-8,15-16,18,23,31H,9-14H2,1-3H3,(H,32,36,37);1-9,24H,10-17H2,(H,29,32,33);1-5,12H,6-7,17H2,(H,18,20,21)
• InChIKey: NMWNBUMLQFFVAY-UHFFFAOYSA-N
• XLogP: 20.18
• TPSA: 653.08 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 38
• Rotatable Bonds: 22
• Heavy Atoms: 221
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3005.34
LogP ≤ 5	20.18
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(6-amino-2-oxobenzo[cd]indol-1-yl)piperidine-2,6-dione;tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]-difluoromethyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]-hydroxymethyl]pyrazol-1-yl]piperidine-1-carboxylate;N-tert-butyl-4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]-N-methylpiperidine-1-carboxamide;3-[6-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione?

The IUPAC name of 3-(6-amino-2-oxobenzo[cd]indol-1-yl)piperidine-2,6-dione;tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]-difluoromethyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]-hydroxymethyl]pyrazol-1-yl]piperidine-1-carboxylate;N-tert-butyl-4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]-N-methylpiperidine-1-carboxamide;3-[6-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione (CID 167628914) is 3-(6-amino-2-oxobenzo[cd]indol-1-yl)piperidine-2,6-dione;tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]-difluoromethyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]-hydroxymethyl]pyrazol-1-yl]piperidine-1-carboxylate;N-tert-butyl-4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]-N-methylpiperidine-1-carboxamide;3-[6-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione.

What is the SMILES notation for 3-(6-amino-2-oxobenzo[cd]indol-1-yl)piperidine-2,6-dione;tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]-difluoromethyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]-hydroxymethyl]pyrazol-1-yl]piperidine-1-carboxylate;N-tert-butyl-4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]-N-methylpiperidine-1-carboxamide;3-[6-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione?

The canonical SMILES for 3-(6-amino-2-oxobenzo[cd]indol-1-yl)piperidine-2,6-dione;tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]-difluoromethyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]-hydroxymethyl]pyrazol-1-yl]piperidine-1-carboxylate;N-tert-butyl-4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]-N-methylpiperidine-1-carboxamide;3-[6-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione is CC(C)(C)OC(=O)N1CCC(n2cc(C(F)(F)c3ccc4c5c(cccc35)C(=O)N4C3CCC(=O)NC3=O)cn2)CC1.CC(C)(C)OC(=O)N1CCC(n2cc(C(O)c3ccc4c5c(cccc35)C(=O)N4C3CCC(=O)NC3=O)cn2)CC1.CC(C)(C)OC(=O)N1CCC(n2cc(Nc3ccc4c5c(cccc35)C(=O)N4C3CCC(=O)NC3=O)cn2)CC1.CN(C(=O)N1CCC(n2cc(Cc3ccc4c5c(cccc35)C(=O)N4C3CCC(=O)NC3=O)cn2)CC1)C(C)(C)C.Nc1ccc2c3c(cccc13)C(=O)N2C1CCC(=O)NC1=O.O=C1CCC(N2C(=O)c3cccc4c(Cc5ccc(CN6CCOCC6)cc5)ccc2c34)C(=O)N1.

What is the InChIKey of 3-(6-amino-2-oxobenzo[cd]indol-1-yl)piperidine-2,6-dione;tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]-difluoromethyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]-hydroxymethyl]pyrazol-1-yl]piperidine-1-carboxylate;N-tert-butyl-4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]-N-methylpiperidine-1-carboxamide;3-[6-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione?

The InChIKey is NMWNBUMLQFFVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N6O4.C30H31F2N5O5.C30H33N5O6.C29H32N6O5.C28H27N3O4.C16H13N3O3/c1-31(2,3)34(4)30(41)35-14-12-21(13-15-35)36-18-19(17-32-36)16-20-8-9-24-27-22(20)6-5-7-23(27)29(40)37(24)25-10-11-26(38)33-28(25)39;1-29(2,3)42-28(41)35-13-11-18(12-14-35)36-16-17(15-33-36)30(31,32)21-7-8-22-25-19(21)5-4-6-20(25)27(40)37(22)23-9-10-24(38)34-26(23)39;1-30(2,3)41-29(40)33-13-11-18(12-14-33)34-16-17(15-31-34)26(37)20-7-8-22-25-19(20)5-4-6-21(25)28(39)35(22)23-9-10-24(36)32-27(23)38;1-29(2,3)40-28(39)33-13-11-18(12-14-33)34-16-17(15-30-34)31-21-7-8-22-25-19(21)5-4-6-20(25)27(38)35(22)23-9-10-24(36)32-26(23)37;32-25-11-10-24(27(33)29-25)31-23-9-8-20(21-2-1-3-22(26(21)23)28(31)34)16-18-4-6-19(7-5-18)17-30-12-14-35-15-13-30;17-10-4-5-11-14-8(10)2-1-3-9(14)16(22)19(11)12-6-7-13(20)18-15(12)21/h5-9,17-18,21,25H,10-16H2,1-4H3,(H,33,38,39);4-8,15-16,18,23H,9-14H2,1-3H3,(H,34,38,39);4-8,15-16,18,23,26,37H,9-14H2,1-3H3,(H,32,36,38);4-8,15-16,18,23,31H,9-14H2,1-3H3,(H,32,36,37);1-9,24H,10-17H2,(H,29,32,33);1-5,12H,6-7,17H2,(H,18,20,21).

What are the key properties of 3-(6-amino-2-oxobenzo[cd]indol-1-yl)piperidine-2,6-dione;tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]-difluoromethyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]-hydroxymethyl]pyrazol-1-yl]piperidine-1-carboxylate;N-tert-butyl-4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]-N-methylpiperidine-1-carboxamide;3-[6-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione?

3-(6-amino-2-oxobenzo[cd]indol-1-yl)piperidine-2,6-dione;tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]-difluoromethyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]-hydroxymethyl]pyrazol-1-yl]piperidine-1-carboxylate;N-tert-butyl-4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]-N-methylpiperidine-1-carboxamide;3-[6-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione has a molecular weight of 3005.34 g/mol, XLogP of 20.18, 22 rotatable bonds, 9 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(6-amino-2-oxobenzo[cd]indol-1-yl)piperidine-2,6-dione;tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]-difluoromethyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]-hydroxymethyl]pyrazol-1-yl]piperidine-1-carboxylate;N-tert-butyl-4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]-N-methylpiperidine-1-carboxamide;3-[6-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 167628914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).