benzyl 4-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetyl]piperazine-1-carboxylate;benzyl piperazine-1-carboxylate;tert-butyl 4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]-2-methylpropyl]piperidine-1-carboxylate;tert-butyl 4-(2-methyl-2-piperazin-1-ylpropyl)piperidine-1-carboxylate;1-(1-cyclohexyl-2-methylpropan-2-yl)piperazine;5-(difluoromethyl)-7-(5,6-difluoro-3-pyridinyl)pyrido[4,3-b]indole;5-[4-[1-[1-[5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-3-fluoro-2-pyridinyl]piperidin-4-yl]-2-methylpropan-2-yl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-(2-methyl-1-piperidin-4-ylpropan-2-yl)piperazin-1-yl]isoindole-1,3-dione;2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid

C210H274F8N34O31 — CID 167584905

IUPACbenzyl 4-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetyl]piperazine-1-carboxylate;benzyl piperazine-1-carboxylate;tert-butyl 4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]-2-methylpropyl]piperidine-1-carboxylate;tert-butyl 4-(2-methyl-2-piperazin-1-ylpropyl)piperidine-1-carboxylate;1-(1-cyclohexyl-2-methylpropan-2-yl)piperazine;5-(difluoromethyl)-7-(5,6-difluoro-3-pyridinyl)pyrido[4,3-b]indole;5-[4-[1-[1-[5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-3-fluoro-2-pyridinyl]piperidin-4-yl]-2-methylpropan-2-yl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-(2-methyl-1-piperidin-4-ylpropan-2-yl)piperazin-1-yl]isoindole-1,3-dione;2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid
SMILESCC(C)(C)OC(=O)N1CCC(CC(=O)N2CCN(C(=O)OCc3ccccc3)CC2)CC1.CC(C)(C)OC(=O)N1CCC(CC(=O)O)CC1.CC(C)(C)OC(=O)N1CCC(CC(C)(C)N2CCN(c3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)CC1.CC(C)(C)OC(=O)N1CCC(CC(C)(C)N2CCNCC2)CC1.CC(C)(CC1CCCCC1)N1CCNCC1.CC(C)(CC1CCN(c2ncc(-c3ccc4c5cnccc5n(C(F)F)c4c3)cc2F)CC1)N1CCN(c2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1.CC(C)(CC1CCNCC1)N1CCN(c2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1.Fc1cc(-c2ccc3c4cnccc4n(C(F)F)c3c2)cnc1F.O=C(OCc1ccccc1)N1CCNCC1.O=C1CCC(N2C(=O)c3ccc(F)cc3C2=O)C(=O)N1
InChIInChI=1S/C43H43F3N8O4.C31H43N5O6.C26H35N5O4.C24H35N3O5.C18H35N3O2.C17H9F4N3.C14H28N2.C13H9FN2O4.C12H16N2O2.C12H21NO4/c1-43(2,52-17-15-50(16-18-52)28-4-6-30-31(21-28)41(58)54(40(30)57)35-7-8-37(55)49-39(35)56)22-25-10-13-51(14-11-25)38-33(44)19-27(23-48-38)26-3-5-29-32-24-47-12-9-34(32)53(42(45)46)36(29)20-26;1-30(2,3)42-29(41)34-12-10-20(11-13-34)19-31(4,5)35-16-14-33(15-17-35)21-6-7-22-23(18-21)28(40)36(27(22)39)24-8-9-25(37)32-26(24)38;1-26(2,16-17-7-9-27-10-8-17)30-13-11-29(12-14-30)18-3-4-19-20(15-18)25(35)31(24(19)34)21-5-6-22(32)28-23(21)33;1-24(2,3)32-23(30)26-11-9-19(10-12-26)17-21(28)25-13-15-27(16-14-25)22(29)31-18-20-7-5-4-6-8-20;1-17(2,3)23-16(22)20-10-6-15(7-11-20)14-18(4,5)21-12-8-19-9-13-21;18-13-5-10(7-23-16(13)19)9-1-2-11-12-8-22-4-3-14(12)24(17(20)21)15(11)6-9;1-14(2,16-10-8-15-9-11-16)12-13-6-4-3-5-7-13;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;1-12(2,3)17-11(16)13-6-4-9(5-7-13)8-10(14)15/h3-6,9,12,19-21,23-25,35,42H,7-8,10-11,13-18,22H2,1-2H3,(H,49,55,56);6-7,18,20,24H,8-17,19H2,1-5H3,(H,32,37,38);3-4,15,17,21,27H,5-14,16H2,1-2H3,(H,28,32,33);4-8,19H,9-18H2,1-3H3;15,19H,6-14H2,1-5H3;1-8,17H;13,15H,3-12H2,1-2H3;1-2,5,9H,3-4H2,(H,15,17,18);1-5,13H,6-10H2;9H,4-8H2,1-3H3,(H,14,15)
InChIKeyHRCITQZMRKSOOT-UHFFFAOYSA-N
MW3922.69 g/mol
LogP28.14
Rot. Bonds35

About benzyl 4-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetyl]piperazine-1-carboxylate;benzyl piperazine-1-carboxylate;tert-butyl 4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]-2-methylpropyl]piperidine-1-carboxylate;tert-butyl 4-(2-methyl-2-piperazin-1-ylpropyl)piperidine-1-carboxylate;1-(1-cyclohexyl-2-methylpropan-2-yl)piperazine;5-(difluoromethyl)-7-(5,6-difluoro-3-pyridinyl)pyrido[4,3-b]indole;5-[4-[1-[1-[5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-3-fluoro-2-pyridinyl]piperidin-4-yl]-2-methylpropan-2-yl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-(2-methyl-1-piperidin-4-ylpropan-2-yl)piperazin-1-yl]isoindole-1,3-dione;2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid

benzyl 4-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetyl]piperazine-1-carboxylate;benzyl piperazine-1-carboxylate;tert-butyl 4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]-2-methylpropyl]piperidine-1-carboxylate;tert-butyl 4-(2-methyl-2-piperazin-1-ylpropyl)piperidine-1-carboxylate;1-(1-cyclohexyl-2-methylpropan-2-yl)piperazine;5-(difluoromethyl)-7-(5,6-difluoro-3-pyridinyl)pyrido[4,3-b]indole;5-[4-[1-[1-[5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-3-fluoro-2-pyridinyl]piperidin-4-yl]-2-methylpropan-2-yl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-(2-methyl-1-piperidin-4-ylpropan-2-yl)piperazin-1-yl]isoindole-1,3-dione;2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid (PubChem CID 167584905) has the molecular formula C210H274F8N34O31 and a molecular weight of 3922.69 g/mol. Its IUPAC name is benzyl 4-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetyl]piperazine-1-carboxylate;benzyl piperazine-1-carboxylate;tert-butyl 4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]-2-methylpropyl]piperidine-1-carboxylate;tert-butyl 4-(2-methyl-2-piperazin-1-ylpropyl)piperidine-1-carboxylate;1-(1-cyclohexyl-2-methylpropan-2-yl)piperazine;5-(difluoromethyl)-7-(5,6-difluoro-3-pyridinyl)pyrido[4,3-b]indole;5-[4-[1-[1-[5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-3-fluoro-2-pyridinyl]piperidin-4-yl]-2-methylpropan-2-yl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-(2-methyl-1-piperidin-4-ylpropan-2-yl)piperazin-1-yl]isoindole-1,3-dione;2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Namebenzyl 4-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetyl]piperazine-1-carboxylate;benzyl piperazine-1-carboxylate;tert-butyl 4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]-2-methylpropyl]piperidine-1-carboxylate;tert-butyl 4-(2-methyl-2-piperazin-1-ylpropyl)piperidine-1-carboxylate;1-(1-cyclohexyl-2-methylpropan-2-yl)piperazine;5-(difluoromethyl)-7-(5,6-difluoro-3-pyridinyl)pyrido[4,3-b]indole;5-[4-[1-[1-[5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-3-fluoro-2-pyridinyl]piperidin-4-yl]-2-methylpropan-2-yl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-(2-methyl-1-piperidin-4-ylpropan-2-yl)piperazin-1-yl]isoindole-1,3-dione;2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid
PubChem CID167584905
Molecular FormulaC210H274F8N34O31
Molecular Weight3922.69 g/mol
Exact Mass3920.08
IUPAC Namebenzyl 4-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetyl]piperazine-1-carboxylate;benzyl piperazine-1-carboxylate;tert-butyl 4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]-2-methylpropyl]piperidine-1-carboxylate;tert-butyl 4-(2-methyl-2-piperazin-1-ylpropyl)piperidine-1-carboxylate;1-(1-cyclohexyl-2-methylpropan-2-yl)piperazine;5-(difluoromethyl)-7-(5,6-difluoro-3-pyridinyl)pyrido[4,3-b]indole;5-[4-[1-[1-[5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-3-fluoro-2-pyridinyl]piperidin-4-yl]-2-methylpropan-2-yl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-(2-methyl-1-piperidin-4-ylpropan-2-yl)piperazin-1-yl]isoindole-1,3-dione;2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid
SMILESCC(C)(C)OC(=O)N1CCC(CC(=O)N2CCN(C(=O)OCc3ccccc3)CC2)CC1.CC(C)(C)OC(=O)N1CCC(CC(=O)O)CC1.CC(C)(C)OC(=O)N1CCC(CC(C)(C)N2CCN(c3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)CC1.CC(C)(C)OC(=O)N1CCC(CC(C)(C)N2CCNCC2)CC1.CC(C)(CC1CCCCC1)N1CCNCC1.CC(C)(CC1CCN(c2ncc(-c3ccc4c5cnccc5n(C(F)F)c4c3)cc2F)CC1)N1CCN(c2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1.CC(C)(CC1CCNCC1)N1CCN(c2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1.Fc1cc(-c2ccc3c4cnccc4n(C(F)F)c3c2)cnc1F.O=C(OCc1ccccc1)N1CCNCC1.O=C1CCC(N2C(=O)c3ccc(F)cc3C2=O)C(=O)N1
InChIInChI=1S/C43H43F3N8O4.C31H43N5O6.C26H35N5O4.C24H35N3O5.C18H35N3O2.C17H9F4N3.C14H28N2.C13H9FN2O4.C12H16N2O2.C12H21NO4/c1-43(2,52-17-15-50(16-18-52)28-4-6-30-31(21-28)41(58)54(40(30)57)35-7-8-37(55)49-39(35)56)22-25-10-13-51(14-11-25)38-33(44)19-27(23-48-38)26-3-5-29-32-24-47-12-9-34(32)53(42(45)46)36(29)20-26;1-30(2,3)42-29(41)34-12-10-20(11-13-34)19-31(4,5)35-16-14-33(15-17-35)21-6-7-22-23(18-21)28(40)36(27(22)39)24-8-9-25(37)32-26(24)38;1-26(2,16-17-7-9-27-10-8-17)30-13-11-29(12-14-30)18-3-4-19-20(15-18)25(35)31(24(19)34)21-5-6-22(32)28-23(21)33;1-24(2,3)32-23(30)26-11-9-19(10-12-26)17-21(28)25-13-15-27(16-14-25)22(29)31-18-20-7-5-4-6-8-20;1-17(2,3)23-16(22)20-10-6-15(7-11-20)14-18(4,5)21-12-8-19-9-13-21;18-13-5-10(7-23-16(13)19)9-1-2-11-12-8-22-4-3-14(12)24(17(20)21)15(11)6-9;1-14(2,16-10-8-15-9-11-16)12-13-6-4-3-5-7-13;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;1-12(2,3)17-11(16)13-6-4-9(5-7-13)8-10(14)15/h3-6,9,12,19-21,23-25,35,42H,7-8,10-11,13-18,22H2,1-2H3,(H,49,55,56);6-7,18,20,24H,8-17,19H2,1-5H3,(H,32,37,38);3-4,15,17,21,27H,5-14,16H2,1-2H3,(H,28,32,33);4-8,19H,9-18H2,1-3H3;15,19H,6-14H2,1-5H3;1-8,17H;13,15H,3-12H2,1-2H3;1-2,5,9H,3-4H2,(H,15,17,18);1-5,13H,6-10H2;9H,4-8H2,1-3H3,(H,14,15)
InChIKeyHRCITQZMRKSOOT-UHFFFAOYSA-N
XLogP28.14
TPSA707.75 Ų
H-Bond Donors9
H-Bond Acceptors49
Rotatable Bonds35
Heavy Atoms283
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003922.69
LogP ≤ 528.14
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1049

Analyze benzyl 4-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetyl]piperazine-1-carboxylate;benzyl piperazine-1-carboxylate;tert-butyl 4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]-2-methylpropyl]piperidine-1-carboxylate;tert-butyl 4-(2-methyl-2-piperazin-1-ylpropyl)piperidine-1-carboxylate;1-(1-cyclohexyl-2-methylpropan-2-yl)piperazine;5-(difluoromethyl)-7-(5,6-difluoro-3-pyridinyl)pyrido[4,3-b]indole;5-[4-[1-[1-[5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-3-fluoro-2-pyridinyl]piperidin-4-yl]-2-methylpropan-2-yl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-(2-methyl-1-piperidin-4-ylpropan-2-yl)piperazin-1-yl]isoindole-1,3-dione;2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid with MolForge

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Related Compounds

CID 157105459
CID 157105459
benzyl (5R,8S)-8-(3,5-difluorophenyl)-10-oxo-9-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1,9-diazaspiro[4.5]decane-1-carboxylate;benzyl (3S)-3-(3,5-difluorophenyl)-1-oxo-2-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-2,9-diazaspiro[5.5]undecane-9-carboxylate;2-[(5R,8S)-8-(3,5-difluorophenyl)-1-methyl-10-oxo-1,9-diazaspiro[4.5]decan-9-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(5R,8S)-8-(3,5-difluorophenyl)-10-oxo-1-(2,2,2-trifluoroethyl)-1,9-diazaspiro[4.5]decan-9-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide
CID 158005847
benzyl 8-(3,5-difluorophenyl)-10-oxo-9-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]-1,9-diazaspiro[4.5]decane-1-carboxylate;benzyl 3-(3,5-difluorophenyl)-1-oxo-2-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]-2,9-diazaspiro[5.5]undecane-9-carboxylate;2-[8-(3,5-difluorophenyl)-1-methyl-10-oxo-1,9-diazaspiro[4.5]decan-9-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-[8-(3,5-difluorophenyl)-10-oxo-1-(2,2,2-trifluoroethyl)-1,9-diazaspiro[4.5]decan-9-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide
CID 158005848
N-(4-acetylphenyl)-2,5-dimethyl-1-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide;1-(1-azabicyclo[2.2.2]octan-3-yl)-2,5-dimethyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide;3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-[1-[2-(dimethylamino)-2-oxoethyl]pyrrol-3-yl]indole-6-carboxylic acid;1-[2-(dimethylamino)ethyl]-N-(2-fluoro-4-methylphenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 158162396
benzyl (5R,8S)-8-(3,5-difluorophenyl)-10-oxo-9-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1,9-diazaspiro[4.5]decane-1-carboxylate;benzyl (3S)-3-(3,5-difluorophenyl)-1-oxo-2-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-2,9-diazaspiro[5.5]undecane-9-carboxylate;2-[(5R,8S)-8-(3,5-difluorophenyl)-1-methyl-10-oxo-1,9-diazaspiro[4.5]decan-9-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;2-[(8R)-8-(3,5-difluorophenyl)-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-yl)acetamide;2-[(5R,8S)-8-(3,5-difluorophenyl)-10-oxo-1-(2,2,2-trifluoroethyl)-1,9-diazaspiro[4.5]decan-9-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide
CID 158329726
benzyl 8-(3,5-difluorophenyl)-10-oxo-9-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]-1,9-diazaspiro[4.5]decane-1-carboxylate;benzyl 3-(3,5-difluorophenyl)-1-oxo-2-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]-2,9-diazaspiro[5.5]undecane-9-carboxylate;2-[8-(3,5-difluorophenyl)-1-methyl-10-oxo-1,9-diazaspiro[4.5]decan-9-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide;2-[8-(3,5-difluorophenyl)-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]-N-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-yl)acetamide;2-[8-(3,5-difluorophenyl)-10-oxo-1-(2,2,2-trifluoroethyl)-1,9-diazaspiro[4.5]decan-9-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide
CID 158329727
Tert-butyl 4-[3,3,3-trifluoro-2-[2-(5-hydroxypentoxy)ethoxy]propyl]piperidine-1-carboxylate;tert-butyl 4-[3,3,3-trifluoro-2-[2-[5-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]pentoxy]ethoxy]propyl]piperidine-1-carboxylate;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[3,3,3-trifluoro-2-[2-[5-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]pentoxy]ethoxy]propyl]piperidin-1-yl]isoindole-1,3-dione;7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;5-methyl-7-[6-[5-[2-(1,1,1-trifluoro-3-piperidin-4-ylpropan-2-yl)oxyethoxy]pentoxy]-3-pyridinyl]pyrido[4,3-b]indole;hydrochloride
CID 158721858
CID 159249970
CID 159249970
CID 160201125
CID 160201125
CID 161133342
CID 161133342
N-[3-[[(3S)-3-aminopiperidin-1-yl]methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]-4-methylbenzamide;(2S)-1-[[3-[[3-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]-4-methylbenzoyl]amino]-5-(3-methylpyrrol-1-yl)phenyl]methyl]piperidine-2-carboxamide;(2S)-1-[[3-[[3-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]-4-methylbenzoyl]amino]-5-(3-methylpyrrol-1-yl)phenyl]methyl]piperidine-2-carboxylic acid;3-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]-4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(3-methylpyrrol-1-yl)phenyl]benzamide;5-methyl-2-[3-(3-methylpyrrol-1-yl)-5-(trifluoromethyl)phenyl]-6-[(4-pyridin-3-ylpyrimidin-2-yl)amino]isoindole-1,3-dione
CID 161819695
[4-[[(2S)-4,4-difluoro-1-[2-(quinoline-4-carbonylamino)acetyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl N-[1-[4-(3-methylidene-9-phenyl-2H-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclobutyl]carbamate;[4-[[(2S)-4,4-difluoro-1-[(2R)-2-(quinoline-4-carbonylamino)propanoyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl N-[1-[4-(3-methylidene-9-phenyl-2H-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclobutyl]carbamate;[4-[2-[(2S,4S)-1-[(2S,4S)-4-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-5-oxopyrrolidine-2-carbonyl]-4-fluoropyrrolidin-2-yl]-2-oxoethyl]phenyl]methyl 2-[1-[4-(3-methylidene-9-phenyl-2H-imidazo[2,1-f][1,6]naphthyridin-8-yl)phenyl]cyclobutyl]acetate
CID 161912191

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetyl]piperazine-1-carboxylate;benzyl piperazine-1-carboxylate;tert-butyl 4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]-2-methylpropyl]piperidine-1-carboxylate;tert-butyl 4-(2-methyl-2-piperazin-1-ylpropyl)piperidine-1-carboxylate;1-(1-cyclohexyl-2-methylpropan-2-yl)piperazine;5-(difluoromethyl)-7-(5,6-difluoro-3-pyridinyl)pyrido[4,3-b]indole;5-[4-[1-[1-[5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-3-fluoro-2-pyridinyl]piperidin-4-yl]-2-methylpropan-2-yl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-(2-methyl-1-piperidin-4-ylpropan-2-yl)piperazin-1-yl]isoindole-1,3-dione;2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid?
The IUPAC name of benzyl 4-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetyl]piperazine-1-carboxylate;benzyl piperazine-1-carboxylate;tert-butyl 4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]-2-methylpropyl]piperidine-1-carboxylate;tert-butyl 4-(2-methyl-2-piperazin-1-ylpropyl)piperidine-1-carboxylate;1-(1-cyclohexyl-2-methylpropan-2-yl)piperazine;5-(difluoromethyl)-7-(5,6-difluoro-3-pyridinyl)pyrido[4,3-b]indole;5-[4-[1-[1-[5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-3-fluoro-2-pyridinyl]piperidin-4-yl]-2-methylpropan-2-yl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-(2-methyl-1-piperidin-4-ylpropan-2-yl)piperazin-1-yl]isoindole-1,3-dione;2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid (CID 167584905) is benzyl 4-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetyl]piperazine-1-carboxylate;benzyl piperazine-1-carboxylate;tert-butyl 4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]-2-methylpropyl]piperidine-1-carboxylate;tert-butyl 4-(2-methyl-2-piperazin-1-ylpropyl)piperidine-1-carboxylate;1-(1-cyclohexyl-2-methylpropan-2-yl)piperazine;5-(difluoromethyl)-7-(5,6-difluoro-3-pyridinyl)pyrido[4,3-b]indole;5-[4-[1-[1-[5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-3-fluoro-2-pyridinyl]piperidin-4-yl]-2-methylpropan-2-yl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-(2-methyl-1-piperidin-4-ylpropan-2-yl)piperazin-1-yl]isoindole-1,3-dione;2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for benzyl 4-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetyl]piperazine-1-carboxylate;benzyl piperazine-1-carboxylate;tert-butyl 4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]-2-methylpropyl]piperidine-1-carboxylate;tert-butyl 4-(2-methyl-2-piperazin-1-ylpropyl)piperidine-1-carboxylate;1-(1-cyclohexyl-2-methylpropan-2-yl)piperazine;5-(difluoromethyl)-7-(5,6-difluoro-3-pyridinyl)pyrido[4,3-b]indole;5-[4-[1-[1-[5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-3-fluoro-2-pyridinyl]piperidin-4-yl]-2-methylpropan-2-yl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-(2-methyl-1-piperidin-4-ylpropan-2-yl)piperazin-1-yl]isoindole-1,3-dione;2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid?
The canonical SMILES for benzyl 4-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetyl]piperazine-1-carboxylate;benzyl piperazine-1-carboxylate;tert-butyl 4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]-2-methylpropyl]piperidine-1-carboxylate;tert-butyl 4-(2-methyl-2-piperazin-1-ylpropyl)piperidine-1-carboxylate;1-(1-cyclohexyl-2-methylpropan-2-yl)piperazine;5-(difluoromethyl)-7-(5,6-difluoro-3-pyridinyl)pyrido[4,3-b]indole;5-[4-[1-[1-[5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-3-fluoro-2-pyridinyl]piperidin-4-yl]-2-methylpropan-2-yl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-(2-methyl-1-piperidin-4-ylpropan-2-yl)piperazin-1-yl]isoindole-1,3-dione;2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid is CC(C)(C)OC(=O)N1CCC(CC(=O)N2CCN(C(=O)OCc3ccccc3)CC2)CC1.CC(C)(C)OC(=O)N1CCC(CC(=O)O)CC1.CC(C)(C)OC(=O)N1CCC(CC(C)(C)N2CCN(c3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)CC1.CC(C)(C)OC(=O)N1CCC(CC(C)(C)N2CCNCC2)CC1.CC(C)(CC1CCCCC1)N1CCNCC1.CC(C)(CC1CCN(c2ncc(-c3ccc4c5cnccc5n(C(F)F)c4c3)cc2F)CC1)N1CCN(c2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1.CC(C)(CC1CCNCC1)N1CCN(c2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1.Fc1cc(-c2ccc3c4cnccc4n(C(F)F)c3c2)cnc1F.O=C(OCc1ccccc1)N1CCNCC1.O=C1CCC(N2C(=O)c3ccc(F)cc3C2=O)C(=O)N1.
What is the InChIKey of benzyl 4-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetyl]piperazine-1-carboxylate;benzyl piperazine-1-carboxylate;tert-butyl 4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]-2-methylpropyl]piperidine-1-carboxylate;tert-butyl 4-(2-methyl-2-piperazin-1-ylpropyl)piperidine-1-carboxylate;1-(1-cyclohexyl-2-methylpropan-2-yl)piperazine;5-(difluoromethyl)-7-(5,6-difluoro-3-pyridinyl)pyrido[4,3-b]indole;5-[4-[1-[1-[5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-3-fluoro-2-pyridinyl]piperidin-4-yl]-2-methylpropan-2-yl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-(2-methyl-1-piperidin-4-ylpropan-2-yl)piperazin-1-yl]isoindole-1,3-dione;2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid?
The InChIKey is HRCITQZMRKSOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H43F3N8O4.C31H43N5O6.C26H35N5O4.C24H35N3O5.C18H35N3O2.C17H9F4N3.C14H28N2.C13H9FN2O4.C12H16N2O2.C12H21NO4/c1-43(2,52-17-15-50(16-18-52)28-4-6-30-31(21-28)41(58)54(40(30)57)35-7-8-37(55)49-39(35)56)22-25-10-13-51(14-11-25)38-33(44)19-27(23-48-38)26-3-5-29-32-24-47-12-9-34(32)53(42(45)46)36(29)20-26;1-30(2,3)42-29(41)34-12-10-20(11-13-34)19-31(4,5)35-16-14-33(15-17-35)21-6-7-22-23(18-21)28(40)36(27(22)39)24-8-9-25(37)32-26(24)38;1-26(2,16-17-7-9-27-10-8-17)30-13-11-29(12-14-30)18-3-4-19-20(15-18)25(35)31(24(19)34)21-5-6-22(32)28-23(21)33;1-24(2,3)32-23(30)26-11-9-19(10-12-26)17-21(28)25-13-15-27(16-14-25)22(29)31-18-20-7-5-4-6-8-20;1-17(2,3)23-16(22)20-10-6-15(7-11-20)14-18(4,5)21-12-8-19-9-13-21;18-13-5-10(7-23-16(13)19)9-1-2-11-12-8-22-4-3-14(12)24(17(20)21)15(11)6-9;1-14(2,16-10-8-15-9-11-16)12-13-6-4-3-5-7-13;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;1-12(2,3)17-11(16)13-6-4-9(5-7-13)8-10(14)15/h3-6,9,12,19-21,23-25,35,42H,7-8,10-11,13-18,22H2,1-2H3,(H,49,55,56);6-7,18,20,24H,8-17,19H2,1-5H3,(H,32,37,38);3-4,15,17,21,27H,5-14,16H2,1-2H3,(H,28,32,33);4-8,19H,9-18H2,1-3H3;15,19H,6-14H2,1-5H3;1-8,17H;13,15H,3-12H2,1-2H3;1-2,5,9H,3-4H2,(H,15,17,18);1-5,13H,6-10H2;9H,4-8H2,1-3H3,(H,14,15).
What are the key properties of benzyl 4-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetyl]piperazine-1-carboxylate;benzyl piperazine-1-carboxylate;tert-butyl 4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]-2-methylpropyl]piperidine-1-carboxylate;tert-butyl 4-(2-methyl-2-piperazin-1-ylpropyl)piperidine-1-carboxylate;1-(1-cyclohexyl-2-methylpropan-2-yl)piperazine;5-(difluoromethyl)-7-(5,6-difluoro-3-pyridinyl)pyrido[4,3-b]indole;5-[4-[1-[1-[5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-3-fluoro-2-pyridinyl]piperidin-4-yl]-2-methylpropan-2-yl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-(2-methyl-1-piperidin-4-ylpropan-2-yl)piperazin-1-yl]isoindole-1,3-dione;2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid?
benzyl 4-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetyl]piperazine-1-carboxylate;benzyl piperazine-1-carboxylate;tert-butyl 4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]-2-methylpropyl]piperidine-1-carboxylate;tert-butyl 4-(2-methyl-2-piperazin-1-ylpropyl)piperidine-1-carboxylate;1-(1-cyclohexyl-2-methylpropan-2-yl)piperazine;5-(difluoromethyl)-7-(5,6-difluoro-3-pyridinyl)pyrido[4,3-b]indole;5-[4-[1-[1-[5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-3-fluoro-2-pyridinyl]piperidin-4-yl]-2-methylpropan-2-yl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-(2-methyl-1-piperidin-4-ylpropan-2-yl)piperazin-1-yl]isoindole-1,3-dione;2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid has a molecular weight of 3922.69 g/mol, XLogP of 28.14, 35 rotatable bonds, 9 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetyl]piperazine-1-carboxylate;benzyl piperazine-1-carboxylate;tert-butyl 4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]-2-methylpropyl]piperidine-1-carboxylate;tert-butyl 4-(2-methyl-2-piperazin-1-ylpropyl)piperidine-1-carboxylate;1-(1-cyclohexyl-2-methylpropan-2-yl)piperazine;5-(difluoromethyl)-7-(5,6-difluoro-3-pyridinyl)pyrido[4,3-b]indole;5-[4-[1-[1-[5-[5-(difluoromethyl)pyrido[4,3-b]indol-7-yl]-3-fluoro-2-pyridinyl]piperidin-4-yl]-2-methylpropan-2-yl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-(2-methyl-1-piperidin-4-ylpropan-2-yl)piperazin-1-yl]isoindole-1,3-dione;2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 167584905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).