3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;tert-butyl 4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]ethoxymethyl]piperidine-1-carboxylate;tert-butyl 4-(2-oxoethoxymethyl)piperidine-1-carboxylate;3-[3-oxo-7-[2-(piperidin-4-ylmethoxy)ethylamino]-1H-isoindol-2-yl]piperidine-2,6-dione

C73H100N12O17 — CID 159950492

About 3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;tert-butyl 4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]ethoxymethyl]piperidine-1-carboxylate;tert-butyl 4-(2-oxoethoxymethyl)piperidine-1-carboxylate;3-[3-oxo-7-[2-(piperidin-4-ylmethoxy)ethylamino]-1H-isoindol-2-yl]piperidine-2,6-dione

3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;tert-butyl 4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]ethoxymethyl]piperidine-1-carboxylate;tert-butyl 4-(2-oxoethoxymethyl)piperidine-1-carboxylate;3-[3-oxo-7-[2-(piperidin-4-ylmethoxy)ethylamino]-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 159950492) has the molecular formula C73H100N12O17 and a molecular weight of 1417.67 g/mol. Its IUPAC name is 3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;tert-butyl 4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]ethoxymethyl]piperidine-1-carboxylate;tert-butyl 4-(2-oxoethoxymethyl)piperidine-1-carboxylate;3-[3-oxo-7-[2-(piperidin-4-ylmethoxy)ethylamino]-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;tert-butyl 4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]ethoxymethyl]piperidine-1-carboxylate;tert-butyl 4-(2-oxoethoxymethyl)piperidine-1-carboxylate;3-[3-oxo-7-[2-(piperidin-4-ylmethoxy)ethylamino]-1H-isoindol-2-yl]piperidine-2,6-dione
• PubChem CID: 159950492
• Molecular Formula: C73H100N12O17
• Molecular Weight: 1417.67 g/mol
• Exact Mass: 1416.73
• IUPAC Name: 3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;tert-butyl 4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]ethoxymethyl]piperidine-1-carboxylate;tert-butyl 4-(2-oxoethoxymethyl)piperidine-1-carboxylate;3-[3-oxo-7-[2-(piperidin-4-ylmethoxy)ethylamino]-1H-isoindol-2-yl]piperidine-2,6-dione
• SMILES: CC(C)(C)OC(=O)N1CCC(COCC=O)CC1.CC(C)(C)OC(=O)N1CCC(COCCNc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)CC1.Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O.O=C1CCC(N2Cc3c(NCCOCC4CCNCC4)cccc3C2=O)C(=O)N1
• InChI: InChI=1S/C26H36N4O6.C21H28N4O4.C13H13N3O3.C13H23NO4/c1-26(2,3)36-25(34)29-12-9-17(10-13-29)16-35-14-11-27-20-6-4-5-18-19(20)15-30(24(18)33)21-7-8-22(31)28-23(21)32;26-19-5-4-18(20(27)24-19)25-12-16-15(21(25)28)2-1-3-17(16)23-10-11-29-13-14-6-8-22-9-7-14;14-9-3-1-2-7-8(9)6-16(13(7)19)10-4-5-11(17)15-12(10)18;1-13(2,3)18-12(16)14-6-4-11(5-7-14)10-17-9-8-15/h4-6,17,21,27H,7-16H2,1-3H3,(H,28,31,32);1-3,14,18,22-23H,4-13H2,(H,24,26,27);1-3,10H,4-6,14H2,(H,15,17,18);8,11H,4-7,9-10H2,1-3H3
• InChIKey: OCAUHGNBSKORTI-UHFFFAOYSA-N
• XLogP: 5.28
• TPSA: 365.39 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 21
• Rotatable Bonds: 19
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1417.67
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;tert-butyl 4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]ethoxymethyl]piperidine-1-carboxylate;tert-butyl 4-(2-oxoethoxymethyl)piperidine-1-carboxylate;3-[3-oxo-7-[2-(piperidin-4-ylmethoxy)ethylamino]-1H-isoindol-2-yl]piperidine-2,6-dione?

The IUPAC name of 3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;tert-butyl 4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]ethoxymethyl]piperidine-1-carboxylate;tert-butyl 4-(2-oxoethoxymethyl)piperidine-1-carboxylate;3-[3-oxo-7-[2-(piperidin-4-ylmethoxy)ethylamino]-1H-isoindol-2-yl]piperidine-2,6-dione (CID 159950492) is 3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;tert-butyl 4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]ethoxymethyl]piperidine-1-carboxylate;tert-butyl 4-(2-oxoethoxymethyl)piperidine-1-carboxylate;3-[3-oxo-7-[2-(piperidin-4-ylmethoxy)ethylamino]-1H-isoindol-2-yl]piperidine-2,6-dione.

What is the SMILES notation for 3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;tert-butyl 4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]ethoxymethyl]piperidine-1-carboxylate;tert-butyl 4-(2-oxoethoxymethyl)piperidine-1-carboxylate;3-[3-oxo-7-[2-(piperidin-4-ylmethoxy)ethylamino]-1H-isoindol-2-yl]piperidine-2,6-dione?

The canonical SMILES for 3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;tert-butyl 4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]ethoxymethyl]piperidine-1-carboxylate;tert-butyl 4-(2-oxoethoxymethyl)piperidine-1-carboxylate;3-[3-oxo-7-[2-(piperidin-4-ylmethoxy)ethylamino]-1H-isoindol-2-yl]piperidine-2,6-dione is CC(C)(C)OC(=O)N1CCC(COCC=O)CC1.CC(C)(C)OC(=O)N1CCC(COCCNc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)CC1.Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O.O=C1CCC(N2Cc3c(NCCOCC4CCNCC4)cccc3C2=O)C(=O)N1.

What is the InChIKey of 3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;tert-butyl 4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]ethoxymethyl]piperidine-1-carboxylate;tert-butyl 4-(2-oxoethoxymethyl)piperidine-1-carboxylate;3-[3-oxo-7-[2-(piperidin-4-ylmethoxy)ethylamino]-1H-isoindol-2-yl]piperidine-2,6-dione?

The InChIKey is OCAUHGNBSKORTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O6.C21H28N4O4.C13H13N3O3.C13H23NO4/c1-26(2,3)36-25(34)29-12-9-17(10-13-29)16-35-14-11-27-20-6-4-5-18-19(20)15-30(24(18)33)21-7-8-22(31)28-23(21)32;26-19-5-4-18(20(27)24-19)25-12-16-15(21(25)28)2-1-3-17(16)23-10-11-29-13-14-6-8-22-9-7-14;14-9-3-1-2-7-8(9)6-16(13(7)19)10-4-5-11(17)15-12(10)18;1-13(2,3)18-12(16)14-6-4-11(5-7-14)10-17-9-8-15/h4-6,17,21,27H,7-16H2,1-3H3,(H,28,31,32);1-3,14,18,22-23H,4-13H2,(H,24,26,27);1-3,10H,4-6,14H2,(H,15,17,18);8,11H,4-7,9-10H2,1-3H3.

What are the key properties of 3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;tert-butyl 4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]ethoxymethyl]piperidine-1-carboxylate;tert-butyl 4-(2-oxoethoxymethyl)piperidine-1-carboxylate;3-[3-oxo-7-[2-(piperidin-4-ylmethoxy)ethylamino]-1H-isoindol-2-yl]piperidine-2,6-dione?

3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;tert-butyl 4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]ethoxymethyl]piperidine-1-carboxylate;tert-butyl 4-(2-oxoethoxymethyl)piperidine-1-carboxylate;3-[3-oxo-7-[2-(piperidin-4-ylmethoxy)ethylamino]-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 1417.67 g/mol, XLogP of 5.28, 19 rotatable bonds, 7 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;tert-butyl 4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]ethoxymethyl]piperidine-1-carboxylate;tert-butyl 4-(2-oxoethoxymethyl)piperidine-1-carboxylate;3-[3-oxo-7-[2-(piperidin-4-ylmethoxy)ethylamino]-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 159950492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).