tert-butyl 4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]piperidine-1-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-methylpiperidine-1-carboxylate;3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutan-1-amine;[1-[4-[[3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]triazol-4-yl]methoxymethyl methanesulfonate;N-[3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[3-[4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-5-yl]oxy]piperidin-1-yl]propyl]triazol-1-yl]benzamide;N-[3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-(hydroxymethoxymethyl)triazol-1-yl]benzamide;3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;4-[4-(3-hydroxypropyl)triazol-1-yl]benzoic acid;3-(3-oxo-6-piperidin-4-yloxy-1H-isoindol-2-yl)piperidine-2,6-dione

C201H242Cl4N32O39S — CID 158351303

IUPACtert-butyl 4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]piperidine-1-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-methylpiperidine-1-carboxylate;3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutan-1-amine;[1-[4-[[3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]triazol-4-yl]methoxymethyl methanesulfonate;N-[3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[3-[4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-5-yl]oxy]piperidin-1-yl]propyl]triazol-1-yl]benzamide;N-[3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-(hydroxymethoxymethyl)triazol-1-yl]benzamide;3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;4-[4-(3-hydroxypropyl)triazol-1-yl]benzoic acid;3-(3-oxo-6-piperidin-4-yloxy-1H-isoindol-2-yl)piperidine-2,6-dione
SMILESCC(C)(C)OC(=O)N1CCC(O)CC1.CC(C)(C)OC(=O)N1CCC(Oc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)CC1.CC1CCN(C(=O)OC(C)(C)C)CC1.O=C(O)c1ccc(-n2cc(CCCO)nn2)cc1.O=C1CCC(N2Cc3cc(O)ccc3C2=O)C(=O)N1.O=C1CCC(N2Cc3cc(OC4CCNCC4)ccc3C2=O)C(=O)N1.[C-]#[N+]c1ccc(OC2C(C)(C)C(N)C2(C)C)cc1Cl.[C-]#[N+]c1ccc(OC2C(C)(C)C(NC(=O)c3ccc(-n4cc(CCCN5CCC(Oc6ccc7c(c6)CN(C6CCC(=O)CC6=O)C7=O)CC5)nn4)cc3)C2(C)C)cc1Cl.[C-]#[N+]c1ccc(OC2C(C)(C)C(NC(=O)c3ccc(-n4cc(COCO)nn4)cc3)C2(C)C)cc1Cl.[C-]#[N+]c1ccc(OC2C(C)(C)C(NC(=O)c3ccc(-n4cc(COCOS(C)(=O)=O)nn4)cc3)C2(C)C)cc1Cl
InChIInChI=1S/C46H50ClN7O6.C27H30ClN5O6S.C26H28ClN5O4.C23H29N3O6.C18H21N3O4.C15H19ClN2O.C13H12N2O4.C12H13N3O3.C11H21NO2.C10H19NO3/c1-45(2)43(46(3,4)44(45)60-35-14-16-38(48-5)37(47)25-35)49-41(57)28-8-10-31(11-9-28)54-27-30(50-51-54)7-6-20-52-21-18-33(19-22-52)59-34-13-15-36-29(23-34)26-53(42(36)58)39-17-12-32(55)24-40(39)56;1-26(2)24(27(3,4)25(26)39-20-11-12-22(29-5)21(28)13-20)30-23(34)17-7-9-19(10-8-17)33-14-18(31-32-33)15-37-16-38-40(6,35)36;1-25(2)23(26(3,4)24(25)36-19-10-11-21(28-5)20(27)12-19)29-22(34)16-6-8-18(9-7-16)32-13-17(30-31-32)14-35-15-33;1-23(2,3)32-22(30)25-10-8-15(9-11-25)31-16-4-5-17-14(12-16)13-26(21(17)29)18-6-7-19(27)24-20(18)28;22-16-4-3-15(17(23)20-16)21-10-11-9-13(1-2-14(11)18(21)24)25-12-5-7-19-8-6-12;1-14(2)12(17)15(3,4)13(14)19-9-6-7-11(18-5)10(16)8-9;16-8-1-2-9-7(5-8)6-15(13(9)19)10-3-4-11(17)14-12(10)18;16-7-1-2-10-8-15(14-13-10)11-5-3-9(4-6-11)12(17)18;1-9-5-7-12(8-6-9)10(13)14-11(2,3)4;1-10(2,3)14-9(13)11-6-4-8(12)5-7-11/h8-11,13-16,23,25,27,33,39,43-44H,6-7,12,17-22,24,26H2,1-4H3,(H,49,57);7-14,24-25H,15-16H2,1-4,6H3,(H,30,34);6-13,23-24,33H,14-15H2,1-4H3,(H,29,34);4-5,12,15,18H,6-11,13H2,1-3H3,(H,24,27,28);1-2,9,12,15,19H,3-8,10H2,(H,20,22,23);6-8,12-13H,17H2,1-4H3;1-2,5,10,16H,3-4,6H2,(H,14,17,18);3-6,8,16H,1-2,7H2,(H,17,18);9H,5-8H2,1-4H3;8,12H,4-7H2,1-3H3
InChIKeyGSIUAFABEPSUPA-UHFFFAOYSA-N
MW3904.21 g/mol
LogP28.20
Rot. Bonds44

About tert-butyl 4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]piperidine-1-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-methylpiperidine-1-carboxylate;3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutan-1-amine;[1-[4-[[3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]triazol-4-yl]methoxymethyl methanesulfonate;N-[3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[3-[4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-5-yl]oxy]piperidin-1-yl]propyl]triazol-1-yl]benzamide;N-[3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-(hydroxymethoxymethyl)triazol-1-yl]benzamide;3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;4-[4-(3-hydroxypropyl)triazol-1-yl]benzoic acid;3-(3-oxo-6-piperidin-4-yloxy-1H-isoindol-2-yl)piperidine-2,6-dione

tert-butyl 4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]piperidine-1-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-methylpiperidine-1-carboxylate;3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutan-1-amine;[1-[4-[[3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]triazol-4-yl]methoxymethyl methanesulfonate;N-[3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[3-[4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-5-yl]oxy]piperidin-1-yl]propyl]triazol-1-yl]benzamide;N-[3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-(hydroxymethoxymethyl)triazol-1-yl]benzamide;3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;4-[4-(3-hydroxypropyl)triazol-1-yl]benzoic acid;3-(3-oxo-6-piperidin-4-yloxy-1H-isoindol-2-yl)piperidine-2,6-dione (PubChem CID 158351303) has the molecular formula C201H242Cl4N32O39S and a molecular weight of 3904.21 g/mol. Its IUPAC name is tert-butyl 4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]piperidine-1-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-methylpiperidine-1-carboxylate;3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutan-1-amine;[1-[4-[[3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]triazol-4-yl]methoxymethyl methanesulfonate;N-[3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[3-[4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-5-yl]oxy]piperidin-1-yl]propyl]triazol-1-yl]benzamide;N-[3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-(hydroxymethoxymethyl)triazol-1-yl]benzamide;3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;4-[4-(3-hydroxypropyl)triazol-1-yl]benzoic acid;3-(3-oxo-6-piperidin-4-yloxy-1H-isoindol-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Nametert-butyl 4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]piperidine-1-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-methylpiperidine-1-carboxylate;3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutan-1-amine;[1-[4-[[3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]triazol-4-yl]methoxymethyl methanesulfonate;N-[3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[3-[4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-5-yl]oxy]piperidin-1-yl]propyl]triazol-1-yl]benzamide;N-[3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-(hydroxymethoxymethyl)triazol-1-yl]benzamide;3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;4-[4-(3-hydroxypropyl)triazol-1-yl]benzoic acid;3-(3-oxo-6-piperidin-4-yloxy-1H-isoindol-2-yl)piperidine-2,6-dione
PubChem CID158351303
Molecular FormulaC201H242Cl4N32O39S
Molecular Weight3904.21 g/mol
Exact Mass3899.64
IUPAC Nametert-butyl 4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]piperidine-1-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-methylpiperidine-1-carboxylate;3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutan-1-amine;[1-[4-[[3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]triazol-4-yl]methoxymethyl methanesulfonate;N-[3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[3-[4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-5-yl]oxy]piperidin-1-yl]propyl]triazol-1-yl]benzamide;N-[3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-(hydroxymethoxymethyl)triazol-1-yl]benzamide;3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;4-[4-(3-hydroxypropyl)triazol-1-yl]benzoic acid;3-(3-oxo-6-piperidin-4-yloxy-1H-isoindol-2-yl)piperidine-2,6-dione
SMILESCC(C)(C)OC(=O)N1CCC(O)CC1.CC(C)(C)OC(=O)N1CCC(Oc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)CC1.CC1CCN(C(=O)OC(C)(C)C)CC1.O=C(O)c1ccc(-n2cc(CCCO)nn2)cc1.O=C1CCC(N2Cc3cc(O)ccc3C2=O)C(=O)N1.O=C1CCC(N2Cc3cc(OC4CCNCC4)ccc3C2=O)C(=O)N1.[C-]#[N+]c1ccc(OC2C(C)(C)C(N)C2(C)C)cc1Cl.[C-]#[N+]c1ccc(OC2C(C)(C)C(NC(=O)c3ccc(-n4cc(CCCN5CCC(Oc6ccc7c(c6)CN(C6CCC(=O)CC6=O)C7=O)CC5)nn4)cc3)C2(C)C)cc1Cl.[C-]#[N+]c1ccc(OC2C(C)(C)C(NC(=O)c3ccc(-n4cc(COCO)nn4)cc3)C2(C)C)cc1Cl.[C-]#[N+]c1ccc(OC2C(C)(C)C(NC(=O)c3ccc(-n4cc(COCOS(C)(=O)=O)nn4)cc3)C2(C)C)cc1Cl
InChIInChI=1S/C46H50ClN7O6.C27H30ClN5O6S.C26H28ClN5O4.C23H29N3O6.C18H21N3O4.C15H19ClN2O.C13H12N2O4.C12H13N3O3.C11H21NO2.C10H19NO3/c1-45(2)43(46(3,4)44(45)60-35-14-16-38(48-5)37(47)25-35)49-41(57)28-8-10-31(11-9-28)54-27-30(50-51-54)7-6-20-52-21-18-33(19-22-52)59-34-13-15-36-29(23-34)26-53(42(36)58)39-17-12-32(55)24-40(39)56;1-26(2)24(27(3,4)25(26)39-20-11-12-22(29-5)21(28)13-20)30-23(34)17-7-9-19(10-8-17)33-14-18(31-32-33)15-37-16-38-40(6,35)36;1-25(2)23(26(3,4)24(25)36-19-10-11-21(28-5)20(27)12-19)29-22(34)16-6-8-18(9-7-16)32-13-17(30-31-32)14-35-15-33;1-23(2,3)32-22(30)25-10-8-15(9-11-25)31-16-4-5-17-14(12-16)13-26(21(17)29)18-6-7-19(27)24-20(18)28;22-16-4-3-15(17(23)20-16)21-10-11-9-13(1-2-14(11)18(21)24)25-12-5-7-19-8-6-12;1-14(2)12(17)15(3,4)13(14)19-9-6-7-11(18-5)10(16)8-9;16-8-1-2-9-7(5-8)6-15(13(9)19)10-3-4-11(17)14-12(10)18;16-7-1-2-10-8-15(14-13-10)11-5-3-9(4-6-11)12(17)18;1-9-5-7-12(8-6-9)10(13)14-11(2,3)4;1-10(2,3)14-9(13)11-6-4-8(12)5-7-11/h8-11,13-16,23,25,27,33,39,43-44H,6-7,12,17-22,24,26H2,1-4H3,(H,49,57);7-14,24-25H,15-16H2,1-4,6H3,(H,30,34);6-13,23-24,33H,14-15H2,1-4H3,(H,29,34);4-5,12,15,18H,6-11,13H2,1-3H3,(H,24,27,28);1-2,9,12,15,19H,3-8,10H2,(H,20,22,23);6-8,12-13H,17H2,1-4H3;1-2,5,10,16H,3-4,6H2,(H,14,17,18);3-6,8,16H,1-2,7H2,(H,17,18);9H,5-8H2,1-4H3;8,12H,4-7H2,1-3H3
InChIKeyGSIUAFABEPSUPA-UHFFFAOYSA-N
XLogP28.20
TPSA856.04 Ų
H-Bond Donors13
H-Bond Acceptors53
Rotatable Bonds44
Heavy Atoms277
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003904.21
LogP ≤ 528.20
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1053

Analyze tert-butyl 4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]piperidine-1-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-methylpiperidine-1-carboxylate;3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutan-1-amine;[1-[4-[[3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]triazol-4-yl]methoxymethyl methanesulfonate;N-[3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[3-[4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-5-yl]oxy]piperidin-1-yl]propyl]triazol-1-yl]benzamide;N-[3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-(hydroxymethoxymethyl)triazol-1-yl]benzamide;3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;4-[4-(3-hydroxypropyl)triazol-1-yl]benzoic acid;3-(3-oxo-6-piperidin-4-yloxy-1H-isoindol-2-yl)piperidine-2,6-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]piperidine-1-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-methylpiperidine-1-carboxylate;3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutan-1-amine;[1-[4-[[3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]triazol-4-yl]methoxymethyl methanesulfonate;N-[3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[3-[4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-5-yl]oxy]piperidin-1-yl]propyl]triazol-1-yl]benzamide;N-[3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-(hydroxymethoxymethyl)triazol-1-yl]benzamide;3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;4-[4-(3-hydroxypropyl)triazol-1-yl]benzoic acid;3-(3-oxo-6-piperidin-4-yloxy-1H-isoindol-2-yl)piperidine-2,6-dione?
The IUPAC name of tert-butyl 4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]piperidine-1-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-methylpiperidine-1-carboxylate;3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutan-1-amine;[1-[4-[[3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]triazol-4-yl]methoxymethyl methanesulfonate;N-[3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[3-[4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-5-yl]oxy]piperidin-1-yl]propyl]triazol-1-yl]benzamide;N-[3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-(hydroxymethoxymethyl)triazol-1-yl]benzamide;3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;4-[4-(3-hydroxypropyl)triazol-1-yl]benzoic acid;3-(3-oxo-6-piperidin-4-yloxy-1H-isoindol-2-yl)piperidine-2,6-dione (CID 158351303) is tert-butyl 4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]piperidine-1-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-methylpiperidine-1-carboxylate;3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutan-1-amine;[1-[4-[[3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]triazol-4-yl]methoxymethyl methanesulfonate;N-[3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[3-[4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-5-yl]oxy]piperidin-1-yl]propyl]triazol-1-yl]benzamide;N-[3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-(hydroxymethoxymethyl)triazol-1-yl]benzamide;3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;4-[4-(3-hydroxypropyl)triazol-1-yl]benzoic acid;3-(3-oxo-6-piperidin-4-yloxy-1H-isoindol-2-yl)piperidine-2,6-dione.
What is the SMILES notation for tert-butyl 4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]piperidine-1-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-methylpiperidine-1-carboxylate;3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutan-1-amine;[1-[4-[[3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]triazol-4-yl]methoxymethyl methanesulfonate;N-[3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[3-[4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-5-yl]oxy]piperidin-1-yl]propyl]triazol-1-yl]benzamide;N-[3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-(hydroxymethoxymethyl)triazol-1-yl]benzamide;3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;4-[4-(3-hydroxypropyl)triazol-1-yl]benzoic acid;3-(3-oxo-6-piperidin-4-yloxy-1H-isoindol-2-yl)piperidine-2,6-dione?
The canonical SMILES for tert-butyl 4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]piperidine-1-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-methylpiperidine-1-carboxylate;3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutan-1-amine;[1-[4-[[3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]triazol-4-yl]methoxymethyl methanesulfonate;N-[3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[3-[4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-5-yl]oxy]piperidin-1-yl]propyl]triazol-1-yl]benzamide;N-[3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-(hydroxymethoxymethyl)triazol-1-yl]benzamide;3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;4-[4-(3-hydroxypropyl)triazol-1-yl]benzoic acid;3-(3-oxo-6-piperidin-4-yloxy-1H-isoindol-2-yl)piperidine-2,6-dione is CC(C)(C)OC(=O)N1CCC(O)CC1.CC(C)(C)OC(=O)N1CCC(Oc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)CC1.CC1CCN(C(=O)OC(C)(C)C)CC1.O=C(O)c1ccc(-n2cc(CCCO)nn2)cc1.O=C1CCC(N2Cc3cc(O)ccc3C2=O)C(=O)N1.O=C1CCC(N2Cc3cc(OC4CCNCC4)ccc3C2=O)C(=O)N1.[C-]#[N+]c1ccc(OC2C(C)(C)C(N)C2(C)C)cc1Cl.[C-]#[N+]c1ccc(OC2C(C)(C)C(NC(=O)c3ccc(-n4cc(CCCN5CCC(Oc6ccc7c(c6)CN(C6CCC(=O)CC6=O)C7=O)CC5)nn4)cc3)C2(C)C)cc1Cl.[C-]#[N+]c1ccc(OC2C(C)(C)C(NC(=O)c3ccc(-n4cc(COCO)nn4)cc3)C2(C)C)cc1Cl.[C-]#[N+]c1ccc(OC2C(C)(C)C(NC(=O)c3ccc(-n4cc(COCOS(C)(=O)=O)nn4)cc3)C2(C)C)cc1Cl.
What is the InChIKey of tert-butyl 4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]piperidine-1-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-methylpiperidine-1-carboxylate;3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutan-1-amine;[1-[4-[[3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]triazol-4-yl]methoxymethyl methanesulfonate;N-[3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[3-[4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-5-yl]oxy]piperidin-1-yl]propyl]triazol-1-yl]benzamide;N-[3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-(hydroxymethoxymethyl)triazol-1-yl]benzamide;3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;4-[4-(3-hydroxypropyl)triazol-1-yl]benzoic acid;3-(3-oxo-6-piperidin-4-yloxy-1H-isoindol-2-yl)piperidine-2,6-dione?
The InChIKey is GSIUAFABEPSUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H50ClN7O6.C27H30ClN5O6S.C26H28ClN5O4.C23H29N3O6.C18H21N3O4.C15H19ClN2O.C13H12N2O4.C12H13N3O3.C11H21NO2.C10H19NO3/c1-45(2)43(46(3,4)44(45)60-35-14-16-38(48-5)37(47)25-35)49-41(57)28-8-10-31(11-9-28)54-27-30(50-51-54)7-6-20-52-21-18-33(19-22-52)59-34-13-15-36-29(23-34)26-53(42(36)58)39-17-12-32(55)24-40(39)56;1-26(2)24(27(3,4)25(26)39-20-11-12-22(29-5)21(28)13-20)30-23(34)17-7-9-19(10-8-17)33-14-18(31-32-33)15-37-16-38-40(6,35)36;1-25(2)23(26(3,4)24(25)36-19-10-11-21(28-5)20(27)12-19)29-22(34)16-6-8-18(9-7-16)32-13-17(30-31-32)14-35-15-33;1-23(2,3)32-22(30)25-10-8-15(9-11-25)31-16-4-5-17-14(12-16)13-26(21(17)29)18-6-7-19(27)24-20(18)28;22-16-4-3-15(17(23)20-16)21-10-11-9-13(1-2-14(11)18(21)24)25-12-5-7-19-8-6-12;1-14(2)12(17)15(3,4)13(14)19-9-6-7-11(18-5)10(16)8-9;16-8-1-2-9-7(5-8)6-15(13(9)19)10-3-4-11(17)14-12(10)18;16-7-1-2-10-8-15(14-13-10)11-5-3-9(4-6-11)12(17)18;1-9-5-7-12(8-6-9)10(13)14-11(2,3)4;1-10(2,3)14-9(13)11-6-4-8(12)5-7-11/h8-11,13-16,23,25,27,33,39,43-44H,6-7,12,17-22,24,26H2,1-4H3,(H,49,57);7-14,24-25H,15-16H2,1-4,6H3,(H,30,34);6-13,23-24,33H,14-15H2,1-4H3,(H,29,34);4-5,12,15,18H,6-11,13H2,1-3H3,(H,24,27,28);1-2,9,12,15,19H,3-8,10H2,(H,20,22,23);6-8,12-13H,17H2,1-4H3;1-2,5,10,16H,3-4,6H2,(H,14,17,18);3-6,8,16H,1-2,7H2,(H,17,18);9H,5-8H2,1-4H3;8,12H,4-7H2,1-3H3.
What are the key properties of tert-butyl 4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]piperidine-1-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-methylpiperidine-1-carboxylate;3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutan-1-amine;[1-[4-[[3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]triazol-4-yl]methoxymethyl methanesulfonate;N-[3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[3-[4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-5-yl]oxy]piperidin-1-yl]propyl]triazol-1-yl]benzamide;N-[3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-(hydroxymethoxymethyl)triazol-1-yl]benzamide;3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;4-[4-(3-hydroxypropyl)triazol-1-yl]benzoic acid;3-(3-oxo-6-piperidin-4-yloxy-1H-isoindol-2-yl)piperidine-2,6-dione?
tert-butyl 4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]piperidine-1-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-methylpiperidine-1-carboxylate;3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutan-1-amine;[1-[4-[[3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]triazol-4-yl]methoxymethyl methanesulfonate;N-[3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[3-[4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-5-yl]oxy]piperidin-1-yl]propyl]triazol-1-yl]benzamide;N-[3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-(hydroxymethoxymethyl)triazol-1-yl]benzamide;3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;4-[4-(3-hydroxypropyl)triazol-1-yl]benzoic acid;3-(3-oxo-6-piperidin-4-yloxy-1H-isoindol-2-yl)piperidine-2,6-dione has a molecular weight of 3904.21 g/mol, XLogP of 28.20, 44 rotatable bonds, 13 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]piperidine-1-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-methylpiperidine-1-carboxylate;3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutan-1-amine;[1-[4-[[3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]triazol-4-yl]methoxymethyl methanesulfonate;N-[3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[3-[4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-5-yl]oxy]piperidin-1-yl]propyl]triazol-1-yl]benzamide;N-[3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-(hydroxymethoxymethyl)triazol-1-yl]benzamide;3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;4-[4-(3-hydroxypropyl)triazol-1-yl]benzoic acid;3-(3-oxo-6-piperidin-4-yloxy-1H-isoindol-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 158351303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).