3-(6-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-5-yl]amino]ethyl]piperidine-1-carboxylate;tert-butyl 4-(2-oxoethyl)piperidine-1-carboxylate;2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]acetaldehyde;3-[6-[2-[1-[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]piperidin-4-yl]ethylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;bis(3-[3-oxo-6-(2-piperidin-4-ylethylamino)-1H-isoindol-2-yl]piperidine-2,6-dione)

C158H190N20O25 — CID 159982115

About 3-(6-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-5-yl]amino]ethyl]piperidine-1-carboxylate;tert-butyl 4-(2-oxoethyl)piperidine-1-carboxylate;2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]acetaldehyde;3-[6-[2-[1-[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]piperidin-4-yl]ethylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;bis(3-[3-oxo-6-(2-piperidin-4-ylethylamino)-1H-isoindol-2-yl]piperidine-2,6-dione)

3-(6-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-5-yl]amino]ethyl]piperidine-1-carboxylate;tert-butyl 4-(2-oxoethyl)piperidine-1-carboxylate;2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]acetaldehyde;3-[6-[2-[1-[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]piperidin-4-yl]ethylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;bis(3-[3-oxo-6-(2-piperidin-4-ylethylamino)-1H-isoindol-2-yl]piperidine-2,6-dione) (PubChem CID 159982115) has the molecular formula C158H190N20O25 and a molecular weight of 2769.37 g/mol. Its IUPAC name is 3-(6-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-5-yl]amino]ethyl]piperidine-1-carboxylate;tert-butyl 4-(2-oxoethyl)piperidine-1-carboxylate;2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]acetaldehyde;3-[6-[2-[1-[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]piperidin-4-yl]ethylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;bis(3-[3-oxo-6-(2-piperidin-4-ylethylamino)-1H-isoindol-2-yl]piperidine-2,6-dione).

Molecular Properties

• Compound Name: 3-(6-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-5-yl]amino]ethyl]piperidine-1-carboxylate;tert-butyl 4-(2-oxoethyl)piperidine-1-carboxylate;2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]acetaldehyde;3-[6-[2-[1-[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]piperidin-4-yl]ethylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;bis(3-[3-oxo-6-(2-piperidin-4-ylethylamino)-1H-isoindol-2-yl]piperidine-2,6-dione)
• PubChem CID: 159982115
• Molecular Formula: C158H190N20O25
• Molecular Weight: 2769.37 g/mol
• Exact Mass: 2767.42
• IUPAC Name: 3-(6-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-5-yl]amino]ethyl]piperidine-1-carboxylate;tert-butyl 4-(2-oxoethyl)piperidine-1-carboxylate;2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]acetaldehyde;3-[6-[2-[1-[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]piperidin-4-yl]ethylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;bis(3-[3-oxo-6-(2-piperidin-4-ylethylamino)-1H-isoindol-2-yl]piperidine-2,6-dione)
• SMILES: CC(C)(C)OC(=O)N1CCC(CC=O)CC1.CC(C)(C)OC(=O)N1CCC(CCNc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)CC1.Nc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O.O=C1CCC(N2Cc3cc(NCCC4CCN(CCOc5ccc([C@@H]6c7ccc(O)cc7CC[C@@H]6c6ccccc6)cc5)CC4)ccc3C2=O)C(=O)N1.O=C1CCC(N2Cc3cc(NCCC4CCNCC4)ccc3C2=O)C(=O)N1.O=C1CCC(N2Cc3cc(NCCC4CCNCC4)ccc3C2=O)C(=O)N1.O=CCOc1ccc([C@@H]2c3ccc(O)cc3CC[C@@H]2c2ccccc2)cc1
• InChI: InChI=1S/C44H48N4O5.C25H34N4O5.C24H22O3.2C20H26N4O3.C13H13N3O3.C12H21NO3/c49-35-10-15-38-32(27-35)8-13-37(30-4-2-1-3-5-30)42(38)31-6-11-36(12-7-31)53-25-24-47-22-19-29(20-23-47)18-21-45-34-9-14-39-33(26-34)28-48(44(39)52)40-16-17-41(50)46-43(40)51;1-25(2,3)34-24(33)28-12-9-16(10-13-28)8-11-26-18-4-5-19-17(14-18)15-29(23(19)32)20-6-7-21(30)27-22(20)31;25-14-15-27-21-10-6-18(7-11-21)24-22(17-4-2-1-3-5-17)12-8-19-16-20(26)9-13-23(19)24;2*25-18-4-3-17(19(26)23-18)24-12-14-11-15(1-2-16(14)20(24)27)22-10-7-13-5-8-21-9-6-13;14-8-1-2-9-7(5-8)6-16(13(9)19)10-3-4-11(17)15-12(10)18;1-12(2,3)16-11(15)13-7-4-10(5-8-13)6-9-14/h1-7,9-12,14-15,26-27,29,37,40,42,45,49H,8,13,16-25,28H2,(H,46,50,51);4-5,14,16,20,26H,6-13,15H2,1-3H3,(H,27,30,31);1-7,9-11,13-14,16,22,24,26H,8,12,15H2;2*1-2,11,13,17,21-22H,3-10,12H2,(H,23,25,26);1-2,5,10H,3-4,6,14H2,(H,15,17,18);9-10H,4-8H2,1-3H3/t37-,40?,42+;;22-,24+;;;;/m1.1..../s1
• InChIKey: OFXCJCNKDZOWMT-MNADIJKCSA-N
• XLogP: 19.09
• TPSA: 585.98 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 33
• Rotatable Bonds: 34
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2769.37
LogP ≤ 5	19.09
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', '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-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;tert-butyl 4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]ethyl]piperidine-1-carboxylate;tert-butyl 4-(2-oxoethyl)piperidine-1-carboxylate;2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]acetaldehyde;3-[6-[2-[1-[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]piperidin-4-yl]ethylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;bis(3-[3-oxo-6-(2-piperidin-4-ylethylamino)-1H-isoindol-2-yl]piperidine-2,6-dione)?

The IUPAC name of 3-(6-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-5-yl]amino]ethyl]piperidine-1-carboxylate;tert-butyl 4-(2-oxoethyl)piperidine-1-carboxylate;2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]acetaldehyde;3-[6-[2-[1-[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]piperidin-4-yl]ethylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;bis(3-[3-oxo-6-(2-piperidin-4-ylethylamino)-1H-isoindol-2-yl]piperidine-2,6-dione) (CID 159982115) is 3-(6-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-5-yl]amino]ethyl]piperidine-1-carboxylate;tert-butyl 4-(2-oxoethyl)piperidine-1-carboxylate;2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]acetaldehyde;3-[6-[2-[1-[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]piperidin-4-yl]ethylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;bis(3-[3-oxo-6-(2-piperidin-4-ylethylamino)-1H-isoindol-2-yl]piperidine-2,6-dione).

What is the SMILES notation for 3-(6-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-5-yl]amino]ethyl]piperidine-1-carboxylate;tert-butyl 4-(2-oxoethyl)piperidine-1-carboxylate;2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]acetaldehyde;3-[6-[2-[1-[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]piperidin-4-yl]ethylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;bis(3-[3-oxo-6-(2-piperidin-4-ylethylamino)-1H-isoindol-2-yl]piperidine-2,6-dione)?

The canonical SMILES for 3-(6-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-5-yl]amino]ethyl]piperidine-1-carboxylate;tert-butyl 4-(2-oxoethyl)piperidine-1-carboxylate;2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]acetaldehyde;3-[6-[2-[1-[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]piperidin-4-yl]ethylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;bis(3-[3-oxo-6-(2-piperidin-4-ylethylamino)-1H-isoindol-2-yl]piperidine-2,6-dione) is CC(C)(C)OC(=O)N1CCC(CC=O)CC1.CC(C)(C)OC(=O)N1CCC(CCNc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)CC1.Nc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O.O=C1CCC(N2Cc3cc(NCCC4CCN(CCOc5ccc([C@@H]6c7ccc(O)cc7CC[C@@H]6c6ccccc6)cc5)CC4)ccc3C2=O)C(=O)N1.O=C1CCC(N2Cc3cc(NCCC4CCNCC4)ccc3C2=O)C(=O)N1.O=C1CCC(N2Cc3cc(NCCC4CCNCC4)ccc3C2=O)C(=O)N1.O=CCOc1ccc([C@@H]2c3ccc(O)cc3CC[C@@H]2c2ccccc2)cc1.

What is the InChIKey of 3-(6-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-5-yl]amino]ethyl]piperidine-1-carboxylate;tert-butyl 4-(2-oxoethyl)piperidine-1-carboxylate;2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]acetaldehyde;3-[6-[2-[1-[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]piperidin-4-yl]ethylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;bis(3-[3-oxo-6-(2-piperidin-4-ylethylamino)-1H-isoindol-2-yl]piperidine-2,6-dione)?

The InChIKey is OFXCJCNKDZOWMT-MNADIJKCSA-N. The full InChI is InChI=1S/C44H48N4O5.C25H34N4O5.C24H22O3.2C20H26N4O3.C13H13N3O3.C12H21NO3/c49-35-10-15-38-32(27-35)8-13-37(30-4-2-1-3-5-30)42(38)31-6-11-36(12-7-31)53-25-24-47-22-19-29(20-23-47)18-21-45-34-9-14-39-33(26-34)28-48(44(39)52)40-16-17-41(50)46-43(40)51;1-25(2,3)34-24(33)28-12-9-16(10-13-28)8-11-26-18-4-5-19-17(14-18)15-29(23(19)32)20-6-7-21(30)27-22(20)31;25-14-15-27-21-10-6-18(7-11-21)24-22(17-4-2-1-3-5-17)12-8-19-16-20(26)9-13-23(19)24;2*25-18-4-3-17(19(26)23-18)24-12-14-11-15(1-2-16(14)20(24)27)22-10-7-13-5-8-21-9-6-13;14-8-1-2-9-7(5-8)6-16(13(9)19)10-3-4-11(17)15-12(10)18;1-12(2,3)16-11(15)13-7-4-10(5-8-13)6-9-14/h1-7,9-12,14-15,26-27,29,37,40,42,45,49H,8,13,16-25,28H2,(H,46,50,51);4-5,14,16,20,26H,6-13,15H2,1-3H3,(H,27,30,31);1-7,9-11,13-14,16,22,24,26H,8,12,15H2;2*1-2,11,13,17,21-22H,3-10,12H2,(H,23,25,26);1-2,5,10H,3-4,6,14H2,(H,15,17,18);9-10H,4-8H2,1-3H3/t37-,40?,42+;;22-,24+;;;;/m1.1..../s1.

What are the key properties of 3-(6-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-5-yl]amino]ethyl]piperidine-1-carboxylate;tert-butyl 4-(2-oxoethyl)piperidine-1-carboxylate;2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]acetaldehyde;3-[6-[2-[1-[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]piperidin-4-yl]ethylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;bis(3-[3-oxo-6-(2-piperidin-4-ylethylamino)-1H-isoindol-2-yl]piperidine-2,6-dione)?

3-(6-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-5-yl]amino]ethyl]piperidine-1-carboxylate;tert-butyl 4-(2-oxoethyl)piperidine-1-carboxylate;2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]acetaldehyde;3-[6-[2-[1-[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]piperidin-4-yl]ethylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;bis(3-[3-oxo-6-(2-piperidin-4-ylethylamino)-1H-isoindol-2-yl]piperidine-2,6-dione) has a molecular weight of 2769.37 g/mol, XLogP of 19.09, 34 rotatable bonds, 14 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(6-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-5-yl]amino]ethyl]piperidine-1-carboxylate;tert-butyl 4-(2-oxoethyl)piperidine-1-carboxylate;2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]acetaldehyde;3-[6-[2-[1-[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]piperidin-4-yl]ethylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;bis(3-[3-oxo-6-(2-piperidin-4-ylethylamino)-1H-isoindol-2-yl]piperidine-2,6-dione) is sourced from PubChem (CID 159982115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).