lithium;benzyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]piperazine-1-carboxylate;benzyl piperazine-1-carboxylate;tert-butyl 4-[4-[5-[[4-(3-chloro-4-isocyanophenoxy)cyclohexyl]carbamoyl]pyrimidin-2-yl]piperazin-1-yl]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 4-piperazin-1-ylpiperidine-1-carboxylate;4-(3-chloro-4-isocyanophenoxy)cyclohexan-1-amine;N-[4-(3-chloro-4-isocyanophenoxy)cyclohexyl]-2-[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]piperazin-1-yl]pyrimidine-5-carboxamide;N-[4-(3-chloro-4-isocyanophenoxy)cyclohexyl]-2-(4-piperidin-4-ylpiperazin-1-yl)pyrimidine-5-carboxamide;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;ethyl 2-chloropyrimidine-5-carboxylate;ethyl 2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]piperazin-1-yl]pyrimidine-5-carboxylate;methane;2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]piperazin-1-yl]pyrimidine-5-carboxylic acid;2,2,2-trifluoroacetaldehyde;hydroxide

C233H310Cl5F4LiN48O40 — CID 157293051

IUPAClithium;benzyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]piperazine-1-carboxylate;benzyl piperazine-1-carboxylate;tert-butyl 4-[4-[5-[[4-(3-chloro-4-isocyanophenoxy)cyclohexyl]carbamoyl]pyrimidin-2-yl]piperazin-1-yl]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 4-piperazin-1-ylpiperidine-1-carboxylate;4-(3-chloro-4-isocyanophenoxy)cyclohexan-1-amine;N-[4-(3-chloro-4-isocyanophenoxy)cyclohexyl]-2-[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]piperazin-1-yl]pyrimidine-5-carboxamide;N-[4-(3-chloro-4-isocyanophenoxy)cyclohexyl]-2-(4-piperidin-4-ylpiperazin-1-yl)pyrimidine-5-carboxamide;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;ethyl 2-chloropyrimidine-5-carboxylate;ethyl 2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]piperazin-1-yl]pyrimidine-5-carboxylate;methane;2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]piperazin-1-yl]pyrimidine-5-carboxylic acid;2,2,2-trifluoroacetaldehyde;hydroxide
SMILESC.CC(C)(C)OC(=O)N1CCC(=O)CC1.CC(C)(C)OC(=O)N1CCC(N2CCN(C(=O)OCc3ccccc3)CC2)CC1.CC(C)(C)OC(=O)N1CCC(N2CCN(c3ncc(C(=O)O)cn3)CC2)CC1.CC(C)(C)OC(=O)N1CCC(N2CCNCC2)CC1.CCOC(=O)c1cnc(Cl)nc1.CCOC(=O)c1cnc(N2CCN(C3CCN(C(=O)OC(C)(C)C)CC3)CC2)nc1.O=C(OCc1ccccc1)N1CCNCC1.O=C1CCC(N2C(=O)c3ccc(F)cc3C2=O)C(=O)N1.O=CC(F)(F)F.[C-]#[N+]c1ccc(OC2CCC(N)CC2)cc1Cl.[C-]#[N+]c1ccc(OC2CCC(NC(=O)c3cnc(N4CCN(C5CCN(C(=O)OC(C)(C)C)CC5)CC4)nc3)CC2)cc1Cl.[C-]#[N+]c1ccc(OC2CCC(NC(=O)c3cnc(N4CCN(C5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)nc3)CC2)cc1Cl.[C-]#[N+]c1ccc(OC2CCC(NC(=O)c3cnc(N4CCN(C5CCNCC5)CC4)nc3)CC2)cc1Cl.[Li+].[OH-]
InChIInChI=1S/C40H42ClN9O6.C32H42ClN7O4.C27H34ClN7O2.C22H33N3O4.C21H33N5O4.C19H29N5O4.C14H27N3O2.C13H15ClN2O.C13H9FN2O4.C12H16N2O2.C10H17NO3.C7H7ClN2O2.C2HF3O.CH4.Li.H2O/c1-42-33-9-7-29(21-32(33)41)56-28-5-2-25(3-6-28)45-36(52)24-22-43-40(44-23-24)49-18-16-48(17-19-49)26-12-14-47(15-13-26)27-4-8-30-31(20-27)39(55)50(38(30)54)34-10-11-35(51)46-37(34)53;1-32(2,3)44-31(42)40-13-11-24(12-14-40)38-15-17-39(18-16-38)30-35-20-22(21-36-30)29(41)37-23-5-7-25(8-6-23)43-26-9-10-28(34-4)27(33)19-26;1-29-25-7-6-23(16-24(25)28)37-22-4-2-20(3-5-22)33-26(36)19-17-31-27(32-18-19)35-14-12-34(13-15-35)21-8-10-30-11-9-21;1-22(2,3)29-21(27)24-11-9-19(10-12-24)23-13-15-25(16-14-23)20(26)28-17-18-7-5-4-6-8-18;1-5-29-18(27)16-14-22-19(23-15-16)25-12-10-24(11-13-25)17-6-8-26(9-7-17)20(28)30-21(2,3)4;1-19(2,3)28-18(27)24-6-4-15(5-7-24)22-8-10-23(11-9-22)17-20-12-14(13-21-17)16(25)26;1-14(2,3)19-13(18)17-8-4-12(5-9-17)16-10-6-15-7-11-16;1-16-13-7-6-11(8-12(13)14)17-10-4-2-9(15)3-5-10;14-6-1-2-7-8(5-6)13(20)16(12(7)19)9-3-4-10(17)15-11(9)18;15-12(14-8-6-13-7-9-14)16-10-11-4-2-1-3-5-11;1-10(2,3)14-9(13)11-6-4-8(12)5-7-11;1-2-12-6(11)5-3-9-7(8)10-4-5;3-2(4,5)1-6;;;/h4,7-9,20-23,25-26,28,34H,2-3,5-6,10-19H2,(H,45,52)(H,46,51,53);9-10,19-21,23-25H,5-8,11-18H2,1-3H3,(H,37,41);6-7,16-18,20-22,30H,2-5,8-15H2,(H,33,36);4-8,19H,9-17H2,1-3H3;14-15,17H,5-13H2,1-4H3;12-13,15H,4-11H2,1-3H3,(H,25,26);12,15H,4-11H2,1-3H3;6-10H,2-5,15H2;1-2,5,9H,3-4H2,(H,15,17,18);1-5,13H,6-10H2;4-7H2,1-3H3;3-4H,2H2,1H3;1H;1H4;;1H2/q;;;;;;;;;;;;;;+1;/p-1
InChIKeyBBAJBOUAYLJHGK-UHFFFAOYSA-M
MW4683.54 g/mol
LogP27.59
Rot. Bonds38

About lithium;benzyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]piperazine-1-carboxylate;benzyl piperazine-1-carboxylate;tert-butyl 4-[4-[5-[[4-(3-chloro-4-isocyanophenoxy)cyclohexyl]carbamoyl]pyrimidin-2-yl]piperazin-1-yl]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 4-piperazin-1-ylpiperidine-1-carboxylate;4-(3-chloro-4-isocyanophenoxy)cyclohexan-1-amine;N-[4-(3-chloro-4-isocyanophenoxy)cyclohexyl]-2-[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]piperazin-1-yl]pyrimidine-5-carboxamide;N-[4-(3-chloro-4-isocyanophenoxy)cyclohexyl]-2-(4-piperidin-4-ylpiperazin-1-yl)pyrimidine-5-carboxamide;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;ethyl 2-chloropyrimidine-5-carboxylate;ethyl 2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]piperazin-1-yl]pyrimidine-5-carboxylate;methane;2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]piperazin-1-yl]pyrimidine-5-carboxylic acid;2,2,2-trifluoroacetaldehyde;hydroxide

lithium;benzyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]piperazine-1-carboxylate;benzyl piperazine-1-carboxylate;tert-butyl 4-[4-[5-[[4-(3-chloro-4-isocyanophenoxy)cyclohexyl]carbamoyl]pyrimidin-2-yl]piperazin-1-yl]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 4-piperazin-1-ylpiperidine-1-carboxylate;4-(3-chloro-4-isocyanophenoxy)cyclohexan-1-amine;N-[4-(3-chloro-4-isocyanophenoxy)cyclohexyl]-2-[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]piperazin-1-yl]pyrimidine-5-carboxamide;N-[4-(3-chloro-4-isocyanophenoxy)cyclohexyl]-2-(4-piperidin-4-ylpiperazin-1-yl)pyrimidine-5-carboxamide;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;ethyl 2-chloropyrimidine-5-carboxylate;ethyl 2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]piperazin-1-yl]pyrimidine-5-carboxylate;methane;2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]piperazin-1-yl]pyrimidine-5-carboxylic acid;2,2,2-trifluoroacetaldehyde;hydroxide (PubChem CID 157293051) has the molecular formula C233H310Cl5F4LiN48O40 and a molecular weight of 4683.54 g/mol. Its IUPAC name is lithium;benzyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]piperazine-1-carboxylate;benzyl piperazine-1-carboxylate;tert-butyl 4-[4-[5-[[4-(3-chloro-4-isocyanophenoxy)cyclohexyl]carbamoyl]pyrimidin-2-yl]piperazin-1-yl]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 4-piperazin-1-ylpiperidine-1-carboxylate;4-(3-chloro-4-isocyanophenoxy)cyclohexan-1-amine;N-[4-(3-chloro-4-isocyanophenoxy)cyclohexyl]-2-[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]piperazin-1-yl]pyrimidine-5-carboxamide;N-[4-(3-chloro-4-isocyanophenoxy)cyclohexyl]-2-(4-piperidin-4-ylpiperazin-1-yl)pyrimidine-5-carboxamide;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;ethyl 2-chloropyrimidine-5-carboxylate;ethyl 2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]piperazin-1-yl]pyrimidine-5-carboxylate;methane;2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]piperazin-1-yl]pyrimidine-5-carboxylic acid;2,2,2-trifluoroacetaldehyde;hydroxide.

Molecular Properties

Compound Namelithium;benzyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]piperazine-1-carboxylate;benzyl piperazine-1-carboxylate;tert-butyl 4-[4-[5-[[4-(3-chloro-4-isocyanophenoxy)cyclohexyl]carbamoyl]pyrimidin-2-yl]piperazin-1-yl]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 4-piperazin-1-ylpiperidine-1-carboxylate;4-(3-chloro-4-isocyanophenoxy)cyclohexan-1-amine;N-[4-(3-chloro-4-isocyanophenoxy)cyclohexyl]-2-[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]piperazin-1-yl]pyrimidine-5-carboxamide;N-[4-(3-chloro-4-isocyanophenoxy)cyclohexyl]-2-(4-piperidin-4-ylpiperazin-1-yl)pyrimidine-5-carboxamide;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;ethyl 2-chloropyrimidine-5-carboxylate;ethyl 2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]piperazin-1-yl]pyrimidine-5-carboxylate;methane;2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]piperazin-1-yl]pyrimidine-5-carboxylic acid;2,2,2-trifluoroacetaldehyde;hydroxide
PubChem CID157293051
Molecular FormulaC233H310Cl5F4LiN48O40
Molecular Weight4683.54 g/mol
Exact Mass4678.22
IUPAC Namelithium;benzyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]piperazine-1-carboxylate;benzyl piperazine-1-carboxylate;tert-butyl 4-[4-[5-[[4-(3-chloro-4-isocyanophenoxy)cyclohexyl]carbamoyl]pyrimidin-2-yl]piperazin-1-yl]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 4-piperazin-1-ylpiperidine-1-carboxylate;4-(3-chloro-4-isocyanophenoxy)cyclohexan-1-amine;N-[4-(3-chloro-4-isocyanophenoxy)cyclohexyl]-2-[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]piperazin-1-yl]pyrimidine-5-carboxamide;N-[4-(3-chloro-4-isocyanophenoxy)cyclohexyl]-2-(4-piperidin-4-ylpiperazin-1-yl)pyrimidine-5-carboxamide;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;ethyl 2-chloropyrimidine-5-carboxylate;ethyl 2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]piperazin-1-yl]pyrimidine-5-carboxylate;methane;2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]piperazin-1-yl]pyrimidine-5-carboxylic acid;2,2,2-trifluoroacetaldehyde;hydroxide
SMILESC.CC(C)(C)OC(=O)N1CCC(=O)CC1.CC(C)(C)OC(=O)N1CCC(N2CCN(C(=O)OCc3ccccc3)CC2)CC1.CC(C)(C)OC(=O)N1CCC(N2CCN(c3ncc(C(=O)O)cn3)CC2)CC1.CC(C)(C)OC(=O)N1CCC(N2CCNCC2)CC1.CCOC(=O)c1cnc(Cl)nc1.CCOC(=O)c1cnc(N2CCN(C3CCN(C(=O)OC(C)(C)C)CC3)CC2)nc1.O=C(OCc1ccccc1)N1CCNCC1.O=C1CCC(N2C(=O)c3ccc(F)cc3C2=O)C(=O)N1.O=CC(F)(F)F.[C-]#[N+]c1ccc(OC2CCC(N)CC2)cc1Cl.[C-]#[N+]c1ccc(OC2CCC(NC(=O)c3cnc(N4CCN(C5CCN(C(=O)OC(C)(C)C)CC5)CC4)nc3)CC2)cc1Cl.[C-]#[N+]c1ccc(OC2CCC(NC(=O)c3cnc(N4CCN(C5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)nc3)CC2)cc1Cl.[C-]#[N+]c1ccc(OC2CCC(NC(=O)c3cnc(N4CCN(C5CCNCC5)CC4)nc3)CC2)cc1Cl.[Li+].[OH-]
InChIInChI=1S/C40H42ClN9O6.C32H42ClN7O4.C27H34ClN7O2.C22H33N3O4.C21H33N5O4.C19H29N5O4.C14H27N3O2.C13H15ClN2O.C13H9FN2O4.C12H16N2O2.C10H17NO3.C7H7ClN2O2.C2HF3O.CH4.Li.H2O/c1-42-33-9-7-29(21-32(33)41)56-28-5-2-25(3-6-28)45-36(52)24-22-43-40(44-23-24)49-18-16-48(17-19-49)26-12-14-47(15-13-26)27-4-8-30-31(20-27)39(55)50(38(30)54)34-10-11-35(51)46-37(34)53;1-32(2,3)44-31(42)40-13-11-24(12-14-40)38-15-17-39(18-16-38)30-35-20-22(21-36-30)29(41)37-23-5-7-25(8-6-23)43-26-9-10-28(34-4)27(33)19-26;1-29-25-7-6-23(16-24(25)28)37-22-4-2-20(3-5-22)33-26(36)19-17-31-27(32-18-19)35-14-12-34(13-15-35)21-8-10-30-11-9-21;1-22(2,3)29-21(27)24-11-9-19(10-12-24)23-13-15-25(16-14-23)20(26)28-17-18-7-5-4-6-8-18;1-5-29-18(27)16-14-22-19(23-15-16)25-12-10-24(11-13-25)17-6-8-26(9-7-17)20(28)30-21(2,3)4;1-19(2,3)28-18(27)24-6-4-15(5-7-24)22-8-10-23(11-9-22)17-20-12-14(13-21-17)16(25)26;1-14(2,3)19-13(18)17-8-4-12(5-9-17)16-10-6-15-7-11-16;1-16-13-7-6-11(8-12(13)14)17-10-4-2-9(15)3-5-10;14-6-1-2-7-8(5-6)13(20)16(12(7)19)9-3-4-10(17)15-11(9)18;15-12(14-8-6-13-7-9-14)16-10-11-4-2-1-3-5-11;1-10(2,3)14-9(13)11-6-4-8(12)5-7-11;1-2-12-6(11)5-3-9-7(8)10-4-5;3-2(4,5)1-6;;;/h4,7-9,20-23,25-26,28,34H,2-3,5-6,10-19H2,(H,45,52)(H,46,51,53);9-10,19-21,23-25H,5-8,11-18H2,1-3H3,(H,37,41);6-7,16-18,20-22,30H,2-5,8-15H2,(H,33,36);4-8,19H,9-17H2,1-3H3;14-15,17H,5-13H2,1-4H3;12-13,15H,4-11H2,1-3H3,(H,25,26);12,15H,4-11H2,1-3H3;6-10H,2-5,15H2;1-2,5,9H,3-4H2,(H,15,17,18);1-5,13H,6-10H2;4-7H2,1-3H3;3-4H,2H2,1H3;1H;1H4;;1H2/q;;;;;;;;;;;;;;+1;/p-1
InChIKeyBBAJBOUAYLJHGK-UHFFFAOYSA-M
XLogP27.59
TPSA958.03 Ų
H-Bond Donors10
H-Bond Acceptors68
Rotatable Bonds38
Heavy Atoms331
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004683.54
LogP ≤ 527.59
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1068

Analyze lithium;benzyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]piperazine-1-carboxylate;benzyl piperazine-1-carboxylate;tert-butyl 4-[4-[5-[[4-(3-chloro-4-isocyanophenoxy)cyclohexyl]carbamoyl]pyrimidin-2-yl]piperazin-1-yl]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 4-piperazin-1-ylpiperidine-1-carboxylate;4-(3-chloro-4-isocyanophenoxy)cyclohexan-1-amine;N-[4-(3-chloro-4-isocyanophenoxy)cyclohexyl]-2-[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]piperazin-1-yl]pyrimidine-5-carboxamide;N-[4-(3-chloro-4-isocyanophenoxy)cyclohexyl]-2-(4-piperidin-4-ylpiperazin-1-yl)pyrimidine-5-carboxamide;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;ethyl 2-chloropyrimidine-5-carboxylate;ethyl 2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]piperazin-1-yl]pyrimidine-5-carboxylate;methane;2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]piperazin-1-yl]pyrimidine-5-carboxylic acid;2,2,2-trifluoroacetaldehyde;hydroxide with MolForge

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Related Compounds

N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-2-[4-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]piperidin-1-yl]pyrimidine-5-carboxamide
CID 163452254
N-[4-(3-chloro-4-isocyanophenoxy)cyclohexyl]-4-[4-[[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]benzamide
CID 159979306
N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-4-[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]piperazin-1-yl]benzamide
CID 134414302
N-[4-(3-chloro-4-methylphenoxy)cyclohexyl]-4-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]benzamide
CID 163403344
5-[4-[[4-[4-[4-(3-chloro-4-isocyanophenoxy)piperidine-1-carbonyl]phenyl]piperazin-1-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 169022584
5-[4-[4-[4-[4-(3-chloro-4-isocyanophenoxy)piperidine-1-carbonyl]phenyl]piperazine-1-carbonyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 169022760
5-[4-[7-[4-[4-(3-chloro-4-isocyanophenoxy)piperidine-1-carbonyl]phenyl]-2,7-diazaspiro[3.5]nonan-2-yl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 169022738
5-[4-[4-[4-[8-(3-chloro-4-isocyanophenoxy)-3-azabicyclo[3.2.1]octane-3-carbonyl]phenyl]piperazin-1-yl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 169022545
5-[4-[4-[4-[9-(3-chloro-4-isocyanophenoxy)-3-oxa-7-azabicyclo[3.3.1]nonane-7-carbonyl]phenyl]piperazin-1-yl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 169022800
tert-butyl 2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decane-8-carboxylate;tert-butyl 4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoate;tert-butyl 4-[4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoyl]piperazine-1-carboxylate;tert-butyl 4-[[4-[4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoyl]piperazin-1-yl]methyl]cyclohexane-1-carboxylate;tert-butyl 4-fluorobenzoate;tert-butyl 4-formylpiperidine-1-carboxylate;tert-butyl 1-methyl-2,8-diazaspiro[4.5]decane-8-carboxylate;tert-butyl piperazine-1-carboxylate;2-chloro-4-fluoro-1-isocyanobenzene;2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decane;4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoic acid;5-[4-[[4-[4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoyl]piperazin-1-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;[4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]phenyl]-piperazin-1-ylmethanone;[4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]phenyl]-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione
CID 167560923
N-[4-(3-chloro-4-isocyanophenoxy)cyclohexyl]-5-[6-[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]-2-azaspiro[3.3]heptan-2-yl]pyrazine-2-carboxamide
CID 167417345
tert-butyl 4-[4-(2-hydroxyethyl)piperidin-1-yl]benzoate;4-[4-[2-[4-[2-(2,4-dioxocyclohexyl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]-N-[3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]benzamide;2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[1-(4-methylphenyl)piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;1-fluoro-4-methylbenzene;3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutan-1-amine;methane;2-[1-(4-methylphenyl)piperidin-4-yl]acetaldehyde;2-piperidin-4-ylethanol
CID 158462248

Frequently Asked Questions

What is the IUPAC name of lithium;benzyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]piperazine-1-carboxylate;benzyl piperazine-1-carboxylate;tert-butyl 4-[4-[5-[[4-(3-chloro-4-isocyanophenoxy)cyclohexyl]carbamoyl]pyrimidin-2-yl]piperazin-1-yl]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 4-piperazin-1-ylpiperidine-1-carboxylate;4-(3-chloro-4-isocyanophenoxy)cyclohexan-1-amine;N-[4-(3-chloro-4-isocyanophenoxy)cyclohexyl]-2-[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]piperazin-1-yl]pyrimidine-5-carboxamide;N-[4-(3-chloro-4-isocyanophenoxy)cyclohexyl]-2-(4-piperidin-4-ylpiperazin-1-yl)pyrimidine-5-carboxamide;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;ethyl 2-chloropyrimidine-5-carboxylate;ethyl 2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]piperazin-1-yl]pyrimidine-5-carboxylate;methane;2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]piperazin-1-yl]pyrimidine-5-carboxylic acid;2,2,2-trifluoroacetaldehyde;hydroxide?
The IUPAC name of lithium;benzyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]piperazine-1-carboxylate;benzyl piperazine-1-carboxylate;tert-butyl 4-[4-[5-[[4-(3-chloro-4-isocyanophenoxy)cyclohexyl]carbamoyl]pyrimidin-2-yl]piperazin-1-yl]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 4-piperazin-1-ylpiperidine-1-carboxylate;4-(3-chloro-4-isocyanophenoxy)cyclohexan-1-amine;N-[4-(3-chloro-4-isocyanophenoxy)cyclohexyl]-2-[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]piperazin-1-yl]pyrimidine-5-carboxamide;N-[4-(3-chloro-4-isocyanophenoxy)cyclohexyl]-2-(4-piperidin-4-ylpiperazin-1-yl)pyrimidine-5-carboxamide;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;ethyl 2-chloropyrimidine-5-carboxylate;ethyl 2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]piperazin-1-yl]pyrimidine-5-carboxylate;methane;2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]piperazin-1-yl]pyrimidine-5-carboxylic acid;2,2,2-trifluoroacetaldehyde;hydroxide (CID 157293051) is lithium;benzyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]piperazine-1-carboxylate;benzyl piperazine-1-carboxylate;tert-butyl 4-[4-[5-[[4-(3-chloro-4-isocyanophenoxy)cyclohexyl]carbamoyl]pyrimidin-2-yl]piperazin-1-yl]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 4-piperazin-1-ylpiperidine-1-carboxylate;4-(3-chloro-4-isocyanophenoxy)cyclohexan-1-amine;N-[4-(3-chloro-4-isocyanophenoxy)cyclohexyl]-2-[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]piperazin-1-yl]pyrimidine-5-carboxamide;N-[4-(3-chloro-4-isocyanophenoxy)cyclohexyl]-2-(4-piperidin-4-ylpiperazin-1-yl)pyrimidine-5-carboxamide;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;ethyl 2-chloropyrimidine-5-carboxylate;ethyl 2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]piperazin-1-yl]pyrimidine-5-carboxylate;methane;2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]piperazin-1-yl]pyrimidine-5-carboxylic acid;2,2,2-trifluoroacetaldehyde;hydroxide.
What is the SMILES notation for lithium;benzyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]piperazine-1-carboxylate;benzyl piperazine-1-carboxylate;tert-butyl 4-[4-[5-[[4-(3-chloro-4-isocyanophenoxy)cyclohexyl]carbamoyl]pyrimidin-2-yl]piperazin-1-yl]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 4-piperazin-1-ylpiperidine-1-carboxylate;4-(3-chloro-4-isocyanophenoxy)cyclohexan-1-amine;N-[4-(3-chloro-4-isocyanophenoxy)cyclohexyl]-2-[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]piperazin-1-yl]pyrimidine-5-carboxamide;N-[4-(3-chloro-4-isocyanophenoxy)cyclohexyl]-2-(4-piperidin-4-ylpiperazin-1-yl)pyrimidine-5-carboxamide;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;ethyl 2-chloropyrimidine-5-carboxylate;ethyl 2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]piperazin-1-yl]pyrimidine-5-carboxylate;methane;2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]piperazin-1-yl]pyrimidine-5-carboxylic acid;2,2,2-trifluoroacetaldehyde;hydroxide?
The canonical SMILES for lithium;benzyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]piperazine-1-carboxylate;benzyl piperazine-1-carboxylate;tert-butyl 4-[4-[5-[[4-(3-chloro-4-isocyanophenoxy)cyclohexyl]carbamoyl]pyrimidin-2-yl]piperazin-1-yl]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 4-piperazin-1-ylpiperidine-1-carboxylate;4-(3-chloro-4-isocyanophenoxy)cyclohexan-1-amine;N-[4-(3-chloro-4-isocyanophenoxy)cyclohexyl]-2-[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]piperazin-1-yl]pyrimidine-5-carboxamide;N-[4-(3-chloro-4-isocyanophenoxy)cyclohexyl]-2-(4-piperidin-4-ylpiperazin-1-yl)pyrimidine-5-carboxamide;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;ethyl 2-chloropyrimidine-5-carboxylate;ethyl 2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]piperazin-1-yl]pyrimidine-5-carboxylate;methane;2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]piperazin-1-yl]pyrimidine-5-carboxylic acid;2,2,2-trifluoroacetaldehyde;hydroxide is C.CC(C)(C)OC(=O)N1CCC(=O)CC1.CC(C)(C)OC(=O)N1CCC(N2CCN(C(=O)OCc3ccccc3)CC2)CC1.CC(C)(C)OC(=O)N1CCC(N2CCN(c3ncc(C(=O)O)cn3)CC2)CC1.CC(C)(C)OC(=O)N1CCC(N2CCNCC2)CC1.CCOC(=O)c1cnc(Cl)nc1.CCOC(=O)c1cnc(N2CCN(C3CCN(C(=O)OC(C)(C)C)CC3)CC2)nc1.O=C(OCc1ccccc1)N1CCNCC1.O=C1CCC(N2C(=O)c3ccc(F)cc3C2=O)C(=O)N1.O=CC(F)(F)F.[C-]#[N+]c1ccc(OC2CCC(N)CC2)cc1Cl.[C-]#[N+]c1ccc(OC2CCC(NC(=O)c3cnc(N4CCN(C5CCN(C(=O)OC(C)(C)C)CC5)CC4)nc3)CC2)cc1Cl.[C-]#[N+]c1ccc(OC2CCC(NC(=O)c3cnc(N4CCN(C5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)nc3)CC2)cc1Cl.[C-]#[N+]c1ccc(OC2CCC(NC(=O)c3cnc(N4CCN(C5CCNCC5)CC4)nc3)CC2)cc1Cl.[Li+].[OH-].
What is the InChIKey of lithium;benzyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]piperazine-1-carboxylate;benzyl piperazine-1-carboxylate;tert-butyl 4-[4-[5-[[4-(3-chloro-4-isocyanophenoxy)cyclohexyl]carbamoyl]pyrimidin-2-yl]piperazin-1-yl]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 4-piperazin-1-ylpiperidine-1-carboxylate;4-(3-chloro-4-isocyanophenoxy)cyclohexan-1-amine;N-[4-(3-chloro-4-isocyanophenoxy)cyclohexyl]-2-[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]piperazin-1-yl]pyrimidine-5-carboxamide;N-[4-(3-chloro-4-isocyanophenoxy)cyclohexyl]-2-(4-piperidin-4-ylpiperazin-1-yl)pyrimidine-5-carboxamide;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;ethyl 2-chloropyrimidine-5-carboxylate;ethyl 2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]piperazin-1-yl]pyrimidine-5-carboxylate;methane;2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]piperazin-1-yl]pyrimidine-5-carboxylic acid;2,2,2-trifluoroacetaldehyde;hydroxide?
The InChIKey is BBAJBOUAYLJHGK-UHFFFAOYSA-M. The full InChI is InChI=1S/C40H42ClN9O6.C32H42ClN7O4.C27H34ClN7O2.C22H33N3O4.C21H33N5O4.C19H29N5O4.C14H27N3O2.C13H15ClN2O.C13H9FN2O4.C12H16N2O2.C10H17NO3.C7H7ClN2O2.C2HF3O.CH4.Li.H2O/c1-42-33-9-7-29(21-32(33)41)56-28-5-2-25(3-6-28)45-36(52)24-22-43-40(44-23-24)49-18-16-48(17-19-49)26-12-14-47(15-13-26)27-4-8-30-31(20-27)39(55)50(38(30)54)34-10-11-35(51)46-37(34)53;1-32(2,3)44-31(42)40-13-11-24(12-14-40)38-15-17-39(18-16-38)30-35-20-22(21-36-30)29(41)37-23-5-7-25(8-6-23)43-26-9-10-28(34-4)27(33)19-26;1-29-25-7-6-23(16-24(25)28)37-22-4-2-20(3-5-22)33-26(36)19-17-31-27(32-18-19)35-14-12-34(13-15-35)21-8-10-30-11-9-21;1-22(2,3)29-21(27)24-11-9-19(10-12-24)23-13-15-25(16-14-23)20(26)28-17-18-7-5-4-6-8-18;1-5-29-18(27)16-14-22-19(23-15-16)25-12-10-24(11-13-25)17-6-8-26(9-7-17)20(28)30-21(2,3)4;1-19(2,3)28-18(27)24-6-4-15(5-7-24)22-8-10-23(11-9-22)17-20-12-14(13-21-17)16(25)26;1-14(2,3)19-13(18)17-8-4-12(5-9-17)16-10-6-15-7-11-16;1-16-13-7-6-11(8-12(13)14)17-10-4-2-9(15)3-5-10;14-6-1-2-7-8(5-6)13(20)16(12(7)19)9-3-4-10(17)15-11(9)18;15-12(14-8-6-13-7-9-14)16-10-11-4-2-1-3-5-11;1-10(2,3)14-9(13)11-6-4-8(12)5-7-11;1-2-12-6(11)5-3-9-7(8)10-4-5;3-2(4,5)1-6;;;/h4,7-9,20-23,25-26,28,34H,2-3,5-6,10-19H2,(H,45,52)(H,46,51,53);9-10,19-21,23-25H,5-8,11-18H2,1-3H3,(H,37,41);6-7,16-18,20-22,30H,2-5,8-15H2,(H,33,36);4-8,19H,9-17H2,1-3H3;14-15,17H,5-13H2,1-4H3;12-13,15H,4-11H2,1-3H3,(H,25,26);12,15H,4-11H2,1-3H3;6-10H,2-5,15H2;1-2,5,9H,3-4H2,(H,15,17,18);1-5,13H,6-10H2;4-7H2,1-3H3;3-4H,2H2,1H3;1H;1H4;;1H2/q;;;;;;;;;;;;;;+1;/p-1.
What are the key properties of lithium;benzyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]piperazine-1-carboxylate;benzyl piperazine-1-carboxylate;tert-butyl 4-[4-[5-[[4-(3-chloro-4-isocyanophenoxy)cyclohexyl]carbamoyl]pyrimidin-2-yl]piperazin-1-yl]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 4-piperazin-1-ylpiperidine-1-carboxylate;4-(3-chloro-4-isocyanophenoxy)cyclohexan-1-amine;N-[4-(3-chloro-4-isocyanophenoxy)cyclohexyl]-2-[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]piperazin-1-yl]pyrimidine-5-carboxamide;N-[4-(3-chloro-4-isocyanophenoxy)cyclohexyl]-2-(4-piperidin-4-ylpiperazin-1-yl)pyrimidine-5-carboxamide;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;ethyl 2-chloropyrimidine-5-carboxylate;ethyl 2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]piperazin-1-yl]pyrimidine-5-carboxylate;methane;2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]piperazin-1-yl]pyrimidine-5-carboxylic acid;2,2,2-trifluoroacetaldehyde;hydroxide?
lithium;benzyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]piperazine-1-carboxylate;benzyl piperazine-1-carboxylate;tert-butyl 4-[4-[5-[[4-(3-chloro-4-isocyanophenoxy)cyclohexyl]carbamoyl]pyrimidin-2-yl]piperazin-1-yl]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 4-piperazin-1-ylpiperidine-1-carboxylate;4-(3-chloro-4-isocyanophenoxy)cyclohexan-1-amine;N-[4-(3-chloro-4-isocyanophenoxy)cyclohexyl]-2-[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]piperazin-1-yl]pyrimidine-5-carboxamide;N-[4-(3-chloro-4-isocyanophenoxy)cyclohexyl]-2-(4-piperidin-4-ylpiperazin-1-yl)pyrimidine-5-carboxamide;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;ethyl 2-chloropyrimidine-5-carboxylate;ethyl 2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]piperazin-1-yl]pyrimidine-5-carboxylate;methane;2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]piperazin-1-yl]pyrimidine-5-carboxylic acid;2,2,2-trifluoroacetaldehyde;hydroxide has a molecular weight of 4683.54 g/mol, XLogP of 27.59, 38 rotatable bonds, 10 hydrogen bond donors, and 68 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;benzyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]piperazine-1-carboxylate;benzyl piperazine-1-carboxylate;tert-butyl 4-[4-[5-[[4-(3-chloro-4-isocyanophenoxy)cyclohexyl]carbamoyl]pyrimidin-2-yl]piperazin-1-yl]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 4-piperazin-1-ylpiperidine-1-carboxylate;4-(3-chloro-4-isocyanophenoxy)cyclohexan-1-amine;N-[4-(3-chloro-4-isocyanophenoxy)cyclohexyl]-2-[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]piperazin-1-yl]pyrimidine-5-carboxamide;N-[4-(3-chloro-4-isocyanophenoxy)cyclohexyl]-2-(4-piperidin-4-ylpiperazin-1-yl)pyrimidine-5-carboxamide;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;ethyl 2-chloropyrimidine-5-carboxylate;ethyl 2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]piperazin-1-yl]pyrimidine-5-carboxylate;methane;2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]piperazin-1-yl]pyrimidine-5-carboxylic acid;2,2,2-trifluoroacetaldehyde;hydroxide is sourced from PubChem (CID 157293051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).