4-[[1-[1-(1-aminocyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl N-[1-[4-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carbonyl]cyclobutyl]carbamate;2-(2,6-dioxopiperidin-3-yl)-4-[(1-piperidin-4-ylpyrazol-4-yl)methylamino]isoindole-1,3-dione;1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylic acid;dihydrochloride

C91H113Cl2N21O20 — CID 159842574

About 4-[[1-[1-(1-aminocyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl N-[1-[4-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carbonyl]cyclobutyl]carbamate;2-(2,6-dioxopiperidin-3-yl)-4-[(1-piperidin-4-ylpyrazol-4-yl)methylamino]isoindole-1,3-dione;1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylic acid;dihydrochloride

4-[[1-[1-(1-aminocyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl N-[1-[4-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carbonyl]cyclobutyl]carbamate;2-(2,6-dioxopiperidin-3-yl)-4-[(1-piperidin-4-ylpyrazol-4-yl)methylamino]isoindole-1,3-dione;1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylic acid;dihydrochloride (PubChem CID 159842574) has the molecular formula C91H113Cl2N21O20 and a molecular weight of 1891.94 g/mol. Its IUPAC name is 4-[[1-[1-(1-aminocyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl N-[1-[4-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carbonyl]cyclobutyl]carbamate;2-(2,6-dioxopiperidin-3-yl)-4-[(1-piperidin-4-ylpyrazol-4-yl)methylamino]isoindole-1,3-dione;1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylic acid;dihydrochloride.

Molecular Properties

• Compound Name: 4-[[1-[1-(1-aminocyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl N-[1-[4-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carbonyl]cyclobutyl]carbamate;2-(2,6-dioxopiperidin-3-yl)-4-[(1-piperidin-4-ylpyrazol-4-yl)methylamino]isoindole-1,3-dione;1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylic acid;dihydrochloride
• PubChem CID: 159842574
• Molecular Formula: C91H113Cl2N21O20
• Molecular Weight: 1891.94 g/mol
• Exact Mass: 1889.78
• IUPAC Name: 4-[[1-[1-(1-aminocyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl N-[1-[4-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carbonyl]cyclobutyl]carbamate;2-(2,6-dioxopiperidin-3-yl)-4-[(1-piperidin-4-ylpyrazol-4-yl)methylamino]isoindole-1,3-dione;1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylic acid;dihydrochloride
• SMILES: CC(C)(C)OC(=O)NC1(C(=O)N2CCC(n3cc(CNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cn3)CC2)CCC1.CC(C)(C)OC(=O)NC1(C(=O)O)CCC1.Cl.Cl.NC1(C(=O)N2CCC(n3cc(CNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cn3)CC2)CCC1.O=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCNCC5)c4)c3C2=O)C(=O)N1
• InChI: InChI=1S/C32H39N7O7.C27H31N7O5.C22H24N6O4.C10H17NO4.2ClH/c1-31(2,3)46-30(45)36-32(12-5-13-32)29(44)37-14-10-20(11-15-37)38-18-19(17-34-38)16-33-22-7-4-6-21-25(22)28(43)39(27(21)42)23-8-9-24(40)35-26(23)41;28-27(9-2-10-27)26(39)32-11-7-17(8-12-32)33-15-16(14-30-33)13-29-19-4-1-3-18-22(19)25(38)34(24(18)37)20-5-6-21(35)31-23(20)36;29-18-5-4-17(20(30)26-18)28-21(31)15-2-1-3-16(19(15)22(28)32)24-10-13-11-25-27(12-13)14-6-8-23-9-7-14;1-9(2,3)15-8(14)11-10(7(12)13)5-4-6-10;;/h4,6-7,17-18,20,23,33H,5,8-16H2,1-3H3,(H,36,45)(H,35,40,41);1,3-4,14-15,17,20,29H,2,5-13,28H2,(H,31,35,36);1-3,11-12,14,17,23-24H,4-10H2,(H,26,29,30);4-6H2,1-3H3,(H,11,14)(H,12,13);2*1H
• InChIKey: QXDKDSLMEWTKBU-UHFFFAOYSA-N
• XLogP: 6.63
• TPSA: 532.83 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 30
• Rotatable Bonds: 20
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1891.94
LogP ≤ 5	6.63
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[1-(1-aminocyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl N-[1-[4-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carbonyl]cyclobutyl]carbamate;2-(2,6-dioxopiperidin-3-yl)-4-[(1-piperidin-4-ylpyrazol-4-yl)methylamino]isoindole-1,3-dione;1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylic acid;dihydrochloride?

The IUPAC name of 4-[[1-[1-(1-aminocyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl N-[1-[4-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carbonyl]cyclobutyl]carbamate;2-(2,6-dioxopiperidin-3-yl)-4-[(1-piperidin-4-ylpyrazol-4-yl)methylamino]isoindole-1,3-dione;1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylic acid;dihydrochloride (CID 159842574) is 4-[[1-[1-(1-aminocyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl N-[1-[4-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carbonyl]cyclobutyl]carbamate;2-(2,6-dioxopiperidin-3-yl)-4-[(1-piperidin-4-ylpyrazol-4-yl)methylamino]isoindole-1,3-dione;1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylic acid;dihydrochloride.

What is the SMILES notation for 4-[[1-[1-(1-aminocyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl N-[1-[4-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carbonyl]cyclobutyl]carbamate;2-(2,6-dioxopiperidin-3-yl)-4-[(1-piperidin-4-ylpyrazol-4-yl)methylamino]isoindole-1,3-dione;1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylic acid;dihydrochloride?

The canonical SMILES for 4-[[1-[1-(1-aminocyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl N-[1-[4-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carbonyl]cyclobutyl]carbamate;2-(2,6-dioxopiperidin-3-yl)-4-[(1-piperidin-4-ylpyrazol-4-yl)methylamino]isoindole-1,3-dione;1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylic acid;dihydrochloride is CC(C)(C)OC(=O)NC1(C(=O)N2CCC(n3cc(CNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cn3)CC2)CCC1.CC(C)(C)OC(=O)NC1(C(=O)O)CCC1.Cl.Cl.NC1(C(=O)N2CCC(n3cc(CNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cn3)CC2)CCC1.O=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCNCC5)c4)c3C2=O)C(=O)N1.

What is the InChIKey of 4-[[1-[1-(1-aminocyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl N-[1-[4-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carbonyl]cyclobutyl]carbamate;2-(2,6-dioxopiperidin-3-yl)-4-[(1-piperidin-4-ylpyrazol-4-yl)methylamino]isoindole-1,3-dione;1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylic acid;dihydrochloride?

The InChIKey is QXDKDSLMEWTKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39N7O7.C27H31N7O5.C22H24N6O4.C10H17NO4.2ClH/c1-31(2,3)46-30(45)36-32(12-5-13-32)29(44)37-14-10-20(11-15-37)38-18-19(17-34-38)16-33-22-7-4-6-21-25(22)28(43)39(27(21)42)23-8-9-24(40)35-26(23)41;28-27(9-2-10-27)26(39)32-11-7-17(8-12-32)33-15-16(14-30-33)13-29-19-4-1-3-18-22(19)25(38)34(24(18)37)20-5-6-21(35)31-23(20)36;29-18-5-4-17(20(30)26-18)28-21(31)15-2-1-3-16(19(15)22(28)32)24-10-13-11-25-27(12-13)14-6-8-23-9-7-14;1-9(2,3)15-8(14)11-10(7(12)13)5-4-6-10;;/h4,6-7,17-18,20,23,33H,5,8-16H2,1-3H3,(H,36,45)(H,35,40,41);1,3-4,14-15,17,20,29H,2,5-13,28H2,(H,31,35,36);1-3,11-12,14,17,23-24H,4-10H2,(H,26,29,30);4-6H2,1-3H3,(H,11,14)(H,12,13);2*1H.

What are the key properties of 4-[[1-[1-(1-aminocyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl N-[1-[4-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carbonyl]cyclobutyl]carbamate;2-(2,6-dioxopiperidin-3-yl)-4-[(1-piperidin-4-ylpyrazol-4-yl)methylamino]isoindole-1,3-dione;1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylic acid;dihydrochloride?

4-[[1-[1-(1-aminocyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl N-[1-[4-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carbonyl]cyclobutyl]carbamate;2-(2,6-dioxopiperidin-3-yl)-4-[(1-piperidin-4-ylpyrazol-4-yl)methylamino]isoindole-1,3-dione;1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylic acid;dihydrochloride has a molecular weight of 1891.94 g/mol, XLogP of 6.63, 20 rotatable bonds, 11 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[1-[1-(1-aminocyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl N-[1-[4-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carbonyl]cyclobutyl]carbamate;2-(2,6-dioxopiperidin-3-yl)-4-[(1-piperidin-4-ylpyrazol-4-yl)methylamino]isoindole-1,3-dione;1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylic acid;dihydrochloride is sourced from PubChem (CID 159842574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).