4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;[4-(aminomethyl)-4-methylpiperidin-1-yl]-(1-methylcyclobutyl)methanone;tert-butyl N-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate;2-(2,6-dioxopiperidin-3-yl)-4-[[1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;methanetricarbaldehyde;1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazole-4-carbaldehyde

C97H135N17O20 — CID 158865367

About 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;[4-(aminomethyl)-4-methylpiperidin-1-yl]-(1-methylcyclobutyl)methanone;tert-butyl N-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate;2-(2,6-dioxopiperidin-3-yl)-4-[[1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;methanetricarbaldehyde;1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazole-4-carbaldehyde

4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;[4-(aminomethyl)-4-methylpiperidin-1-yl]-(1-methylcyclobutyl)methanone;tert-butyl N-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate;2-(2,6-dioxopiperidin-3-yl)-4-[[1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;methanetricarbaldehyde;1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazole-4-carbaldehyde (PubChem CID 158865367) has the molecular formula C97H135N17O20 and a molecular weight of 1859.25 g/mol. Its IUPAC name is 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;[4-(aminomethyl)-4-methylpiperidin-1-yl]-(1-methylcyclobutyl)methanone;tert-butyl N-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate;2-(2,6-dioxopiperidin-3-yl)-4-[[1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;methanetricarbaldehyde;1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazole-4-carbaldehyde.

Molecular Properties

• Compound Name: 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;[4-(aminomethyl)-4-methylpiperidin-1-yl]-(1-methylcyclobutyl)methanone;tert-butyl N-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate;2-(2,6-dioxopiperidin-3-yl)-4-[[1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;methanetricarbaldehyde;1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazole-4-carbaldehyde
• PubChem CID: 158865367
• Molecular Formula: C97H135N17O20
• Molecular Weight: 1859.25 g/mol
• Exact Mass: 1858.01
• IUPAC Name: 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;[4-(aminomethyl)-4-methylpiperidin-1-yl]-(1-methylcyclobutyl)methanone;tert-butyl N-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate;2-(2,6-dioxopiperidin-3-yl)-4-[[1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;methanetricarbaldehyde;1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazole-4-carbaldehyde
• SMILES: CC(C)(C)OC(=O)NN(C(=O)OC(C)(C)C)C1(C)CCN(C(=O)C2(C)CCC2)CC1.CC1(C(=O)N2CCC(C)(n3cc(C=O)cn3)CC2)CCC1.CC1(C(=O)N2CCC(C)(n3cc(CNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cn3)CC2)CCC1.CC1(CN)CCN(C(=O)C2(C)CCC2)CC1.Nc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.O=CC(C=O)C=O
• InChI: InChI=1S/C29H34N6O5.C22H39N3O5.C16H23N3O2.C13H11N3O4.C13H24N2O.C4H4O3/c1-28(9-4-10-28)27(40)33-13-11-29(2,12-14-33)34-17-18(16-31-34)15-30-20-6-3-5-19-23(20)26(39)35(25(19)38)21-7-8-22(36)32-24(21)37;1-19(2,3)29-17(27)23-25(18(28)30-20(4,5)6)22(8)12-14-24(15-13-22)16(26)21(7)10-9-11-21;1-15(4-3-5-15)14(21)18-8-6-16(2,7-9-18)19-11-13(12-20)10-17-19;14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18;1-12(10-14)6-8-15(9-7-12)11(16)13(2)4-3-5-13;5-1-4(2-6)3-7/h3,5-6,16-17,21,30H,4,7-15H2,1-2H3,(H,32,36,37);9-15H2,1-8H3,(H,23,27);10-12H,3-9H2,1-2H3;1-3,8H,4-5,14H2,(H,15,17,18);3-10,14H2,1-2H3;1-4H
• InChIKey: JBDXCZZJCPGHQZ-UHFFFAOYSA-N
• XLogP: 9.52
• TPSA: 484.20 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 27
• Rotatable Bonds: 17
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1859.25
LogP ≤ 5	9.52
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;[4-(aminomethyl)-4-methylpiperidin-1-yl]-(1-methylcyclobutyl)methanone;tert-butyl N-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate;2-(2,6-dioxopiperidin-3-yl)-4-[[1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;methanetricarbaldehyde;1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazole-4-carbaldehyde?

The IUPAC name of 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;[4-(aminomethyl)-4-methylpiperidin-1-yl]-(1-methylcyclobutyl)methanone;tert-butyl N-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate;2-(2,6-dioxopiperidin-3-yl)-4-[[1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;methanetricarbaldehyde;1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazole-4-carbaldehyde (CID 158865367) is 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;[4-(aminomethyl)-4-methylpiperidin-1-yl]-(1-methylcyclobutyl)methanone;tert-butyl N-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate;2-(2,6-dioxopiperidin-3-yl)-4-[[1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;methanetricarbaldehyde;1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazole-4-carbaldehyde.

What is the SMILES notation for 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;[4-(aminomethyl)-4-methylpiperidin-1-yl]-(1-methylcyclobutyl)methanone;tert-butyl N-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate;2-(2,6-dioxopiperidin-3-yl)-4-[[1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;methanetricarbaldehyde;1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazole-4-carbaldehyde?

The canonical SMILES for 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;[4-(aminomethyl)-4-methylpiperidin-1-yl]-(1-methylcyclobutyl)methanone;tert-butyl N-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate;2-(2,6-dioxopiperidin-3-yl)-4-[[1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;methanetricarbaldehyde;1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazole-4-carbaldehyde is CC(C)(C)OC(=O)NN(C(=O)OC(C)(C)C)C1(C)CCN(C(=O)C2(C)CCC2)CC1.CC1(C(=O)N2CCC(C)(n3cc(C=O)cn3)CC2)CCC1.CC1(C(=O)N2CCC(C)(n3cc(CNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cn3)CC2)CCC1.CC1(CN)CCN(C(=O)C2(C)CCC2)CC1.Nc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.O=CC(C=O)C=O.

What is the InChIKey of 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;[4-(aminomethyl)-4-methylpiperidin-1-yl]-(1-methylcyclobutyl)methanone;tert-butyl N-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate;2-(2,6-dioxopiperidin-3-yl)-4-[[1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;methanetricarbaldehyde;1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazole-4-carbaldehyde?

The InChIKey is JBDXCZZJCPGHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N6O5.C22H39N3O5.C16H23N3O2.C13H11N3O4.C13H24N2O.C4H4O3/c1-28(9-4-10-28)27(40)33-13-11-29(2,12-14-33)34-17-18(16-31-34)15-30-20-6-3-5-19-23(20)26(39)35(25(19)38)21-7-8-22(36)32-24(21)37;1-19(2,3)29-17(27)23-25(18(28)30-20(4,5)6)22(8)12-14-24(15-13-22)16(26)21(7)10-9-11-21;1-15(4-3-5-15)14(21)18-8-6-16(2,7-9-18)19-11-13(12-20)10-17-19;14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18;1-12(10-14)6-8-15(9-7-12)11(16)13(2)4-3-5-13;5-1-4(2-6)3-7/h3,5-6,16-17,21,30H,4,7-15H2,1-2H3,(H,32,36,37);9-15H2,1-8H3,(H,23,27);10-12H,3-9H2,1-2H3;1-3,8H,4-5,14H2,(H,15,17,18);3-10,14H2,1-2H3;1-4H.

What are the key properties of 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;[4-(aminomethyl)-4-methylpiperidin-1-yl]-(1-methylcyclobutyl)methanone;tert-butyl N-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate;2-(2,6-dioxopiperidin-3-yl)-4-[[1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;methanetricarbaldehyde;1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazole-4-carbaldehyde?

4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;[4-(aminomethyl)-4-methylpiperidin-1-yl]-(1-methylcyclobutyl)methanone;tert-butyl N-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate;2-(2,6-dioxopiperidin-3-yl)-4-[[1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;methanetricarbaldehyde;1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazole-4-carbaldehyde has a molecular weight of 1859.25 g/mol, XLogP of 9.52, 17 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;[4-(aminomethyl)-4-methylpiperidin-1-yl]-(1-methylcyclobutyl)methanone;tert-butyl N-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate;2-(2,6-dioxopiperidin-3-yl)-4-[[1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;methanetricarbaldehyde;1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazole-4-carbaldehyde is sourced from PubChem (CID 158865367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).