4-[[1-[1-[1-(cyclobutanecarbonyl)piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[1-(2-methoxyacetyl)piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-[2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-[1-(2-phenylacetyl)piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione

C139H158N28O21 — CID 161196254

About 4-[[1-[1-[1-(cyclobutanecarbonyl)piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[1-(2-methoxyacetyl)piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-[2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-[1-(2-phenylacetyl)piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione

4-[[1-[1-[1-(cyclobutanecarbonyl)piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[1-(2-methoxyacetyl)piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-[2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-[1-(2-phenylacetyl)piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione (PubChem CID 161196254) has the molecular formula C139H158N28O21 and a molecular weight of 2556.97 g/mol. Its IUPAC name is 4-[[1-[1-[1-(cyclobutanecarbonyl)piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[1-(2-methoxyacetyl)piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-[2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-[1-(2-phenylacetyl)piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 4-[[1-[1-[1-(cyclobutanecarbonyl)piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[1-(2-methoxyacetyl)piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-[2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-[1-(2-phenylacetyl)piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione
• PubChem CID: 161196254
• Molecular Formula: C139H158N28O21
• Molecular Weight: 2556.97 g/mol
• Exact Mass: 2555.22
• IUPAC Name: 4-[[1-[1-[1-(cyclobutanecarbonyl)piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[1-(2-methoxyacetyl)piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-[2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-[1-(2-phenylacetyl)piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione
• SMILES: C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)C6CCN(C(=O)C7CCC7)CC6)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)C6CCN(C(=O)COC)CC6)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)C6CCN(C(=O)Cc7ccccc7)CC6)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)Cc6nc(-c7cccc(C)c7)oc6C)CC5)c4)c3C2=O)C(=O)N1
• InChI: InChI=1S/C37H41N7O5.C36H37N7O5.C34H41N7O5.C32H39N7O6/c1-24-10-11-31(34(46)40-24)44-36(48)29-8-5-9-30(33(29)37(44)49)38-21-26-22-39-43(23-26)28-14-18-42(19-15-28)35(47)27-12-16-41(17-13-27)32(45)20-25-6-3-2-4-7-25;1-21-6-4-7-25(16-21)34-40-29(23(3)48-34)17-31(44)41-14-12-26(13-15-41)42-20-24(19-38-42)18-37-28-9-5-8-27-32(28)36(47)43(35(27)46)30-11-10-22(2)39-33(30)45;1-21-8-9-28(30(42)37-21)41-33(45)26-6-3-7-27(29(26)34(41)46)35-18-22-19-36-40(20-22)25-12-16-39(17-13-25)32(44)24-10-14-38(15-11-24)31(43)23-4-2-5-23;1-20-6-7-26(29(41)35-20)39-31(43)24-4-3-5-25(28(24)32(39)44)33-16-21-17-34-38(18-21)23-10-14-37(15-11-23)30(42)22-8-12-36(13-9-22)27(40)19-45-2/h2-9,22-23,27-28,31,38H,1,10-21H2,(H,40,46);4-9,16,19-20,26,30,37H,2,10-15,17-18H2,1,3H3,(H,39,45);3,6-7,19-20,23-25,28,35H,1-2,4-5,8-18H2,(H,37,42);3-5,17-18,22-23,26,33H,1,6-16,19H2,2H3,(H,35,41)
• InChIKey: UUJMPFRHXHFKLM-UHFFFAOYSA-N
• XLogP: 13.11
• TPSA: 562.75 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 34
• Rotatable Bonds: 31
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2556.97
LogP ≤ 5	13.11
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[1-[1-(cyclobutanecarbonyl)piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[1-(2-methoxyacetyl)piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-[2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-[1-(2-phenylacetyl)piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione?

The IUPAC name of 4-[[1-[1-[1-(cyclobutanecarbonyl)piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[1-(2-methoxyacetyl)piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-[2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-[1-(2-phenylacetyl)piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione (CID 161196254) is 4-[[1-[1-[1-(cyclobutanecarbonyl)piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[1-(2-methoxyacetyl)piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-[2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-[1-(2-phenylacetyl)piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione.

What is the SMILES notation for 4-[[1-[1-[1-(cyclobutanecarbonyl)piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[1-(2-methoxyacetyl)piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-[2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-[1-(2-phenylacetyl)piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione?

The canonical SMILES for 4-[[1-[1-[1-(cyclobutanecarbonyl)piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[1-(2-methoxyacetyl)piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-[2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-[1-(2-phenylacetyl)piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione is C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)C6CCN(C(=O)C7CCC7)CC6)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)C6CCN(C(=O)COC)CC6)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)C6CCN(C(=O)Cc7ccccc7)CC6)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)Cc6nc(-c7cccc(C)c7)oc6C)CC5)c4)c3C2=O)C(=O)N1.

What is the InChIKey of 4-[[1-[1-[1-(cyclobutanecarbonyl)piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[1-(2-methoxyacetyl)piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-[2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-[1-(2-phenylacetyl)piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione?

The InChIKey is UUJMPFRHXHFKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H41N7O5.C36H37N7O5.C34H41N7O5.C32H39N7O6/c1-24-10-11-31(34(46)40-24)44-36(48)29-8-5-9-30(33(29)37(44)49)38-21-26-22-39-43(23-26)28-14-18-42(19-15-28)35(47)27-12-16-41(17-13-27)32(45)20-25-6-3-2-4-7-25;1-21-6-4-7-25(16-21)34-40-29(23(3)48-34)17-31(44)41-14-12-26(13-15-41)42-20-24(19-38-42)18-37-28-9-5-8-27-32(28)36(47)43(35(27)46)30-11-10-22(2)39-33(30)45;1-21-8-9-28(30(42)37-21)41-33(45)26-6-3-7-27(29(26)34(41)46)35-18-22-19-36-40(20-22)25-12-16-39(17-13-25)32(44)24-10-14-38(15-11-24)31(43)23-4-2-5-23;1-20-6-7-26(29(41)35-20)39-31(43)24-4-3-5-25(28(24)32(39)44)33-16-21-17-34-38(18-21)23-10-14-37(15-11-23)30(42)22-8-12-36(13-9-22)27(40)19-45-2/h2-9,22-23,27-28,31,38H,1,10-21H2,(H,40,46);4-9,16,19-20,26,30,37H,2,10-15,17-18H2,1,3H3,(H,39,45);3,6-7,19-20,23-25,28,35H,1-2,4-5,8-18H2,(H,37,42);3-5,17-18,22-23,26,33H,1,6-16,19H2,2H3,(H,35,41).

What are the key properties of 4-[[1-[1-[1-(cyclobutanecarbonyl)piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[1-(2-methoxyacetyl)piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-[2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-[1-(2-phenylacetyl)piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione?

4-[[1-[1-[1-(cyclobutanecarbonyl)piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[1-(2-methoxyacetyl)piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-[2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-[1-(2-phenylacetyl)piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione has a molecular weight of 2556.97 g/mol, XLogP of 13.11, 31 rotatable bonds, 8 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[1-[1-[1-(cyclobutanecarbonyl)piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[1-(2-methoxyacetyl)piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-[2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-[1-(2-phenylacetyl)piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione is sourced from PubChem (CID 161196254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).