(2S)-5-[benzyl(phenylmethoxycarbonyl)amino]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;tert-butyl (2S,5S)-5-[benzyl(phenylmethoxycarbonyl)amino]-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidine-1-carboxylate;tert-butyl (2S,5R)-5-[benzyl(phenylmethoxycarbonyl)amino]-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidine-1-carboxylate;1-O-tert-butyl 2-O-[2-(2-methoxyquinolin-3-yl)-2-oxoethyl] (2S)-5-[benzyl(phenylmethoxycarbonyl)amino]piperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S)-5-oxopiperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate;ethenyl(trimethyl)silane;2-hydroxy-1-(2-methoxyquinolin-3-yl)ethanone;1-[(2S,5S)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-5-(oxolan-3-ylamino)piperidin-1-yl]-2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]ethanone;1-[(2S,5R)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-5-(oxolan-3-ylamino)piperidin-1-yl]-2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]ethanone;2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]acetic acid;methyl (2S)-6-diazo-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxohexanoate;oxolan-3-one

C273H316F9N37O55Si — CID 160848607

IUPAC(2S)-5-[benzyl(phenylmethoxycarbonyl)amino]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;tert-butyl (2S,5S)-5-[benzyl(phenylmethoxycarbonyl)amino]-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidine-1-carboxylate;tert-butyl (2S,5R)-5-[benzyl(phenylmethoxycarbonyl)amino]-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidine-1-carboxylate;1-O-tert-butyl 2-O-[2-(2-methoxyquinolin-3-yl)-2-oxoethyl] (2S)-5-[benzyl(phenylmethoxycarbonyl)amino]piperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S)-5-oxopiperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate;ethenyl(trimethyl)silane;2-hydroxy-1-(2-methoxyquinolin-3-yl)ethanone;1-[(2S,5S)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-5-(oxolan-3-ylamino)piperidin-1-yl]-2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]ethanone;1-[(2S,5R)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-5-(oxolan-3-ylamino)piperidin-1-yl]-2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]ethanone;2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]acetic acid;methyl (2S)-6-diazo-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxohexanoate;oxolan-3-one
SMILESC=C[Si](C)(C)C.CC(C)(C)OC(=O)N1CC(N(Cc2ccccc2)C(=O)OCc2ccccc2)CC[C@H]1C(=O)O.COC(=O)[C@@H]1CCC(=O)CN1C(=O)OC(C)(C)C.COC(=O)[C@@H]1CCC(=O)N1C(=O)OC(C)(C)C.COC(=O)[C@H](CCC(=O)C=[N+]=[N-])NC(=O)OC(C)(C)C.COc1ccc2nc(C(F)(F)F)n(CC(=O)N3C[C@@H](NC4CCOC4)CC[C@H]3c3ncc(-c4cc5ccccc5nc4OC)[nH]3)c2c1.COc1ccc2nc(C(F)(F)F)n(CC(=O)N3C[C@H](NC4CCOC4)CC[C@H]3c3ncc(-c4cc5ccccc5nc4OC)[nH]3)c2c1.COc1ccc2nc(C(F)(F)F)n(CC(=O)O)c2c1.COc1nc2ccccc2cc1-c1cnc([C@@H]2CC[C@@H](N(Cc3ccccc3)C(=O)OCc3ccccc3)CN2C(=O)OC(C)(C)C)[nH]1.COc1nc2ccccc2cc1-c1cnc([C@@H]2CC[C@H](N(Cc3ccccc3)C(=O)OCc3ccccc3)CN2C(=O)OC(C)(C)C)[nH]1.COc1nc2ccccc2cc1C(=O)CO.COc1nc2ccccc2cc1C(=O)COC(=O)[C@@H]1CCC(N(Cc2ccccc2)C(=O)OCc2ccccc2)CN1C(=O)OC(C)(C)C.O=C1CCOC1
InChIInChI=1S/2C38H41N5O5.C38H41N3O8.2C33H34F3N7O4.C26H32N2O6.C12H19N3O5.C12H19NO5.C12H11NO3.C11H9F3N2O3.C11H17NO5.C5H12Si.C4H6O2/c2*1-38(2,3)48-37(45)43-24-29(42(23-26-13-7-5-8-14-26)36(44)47-25-27-15-9-6-10-16-27)19-20-33(43)34-39-22-32(40-34)30-21-28-17-11-12-18-31(28)41-35(30)46-4;1-38(2,3)49-37(45)41-23-29(40(22-26-13-7-5-8-14-26)36(44)48-24-27-15-9-6-10-16-27)19-20-32(41)35(43)47-25-33(42)30-21-28-17-11-12-18-31(28)39-34(30)46-4;2*1-45-22-8-9-25-28(14-22)43(32(41-25)33(34,35)36)17-29(44)42-16-20(38-21-11-12-47-18-21)7-10-27(42)30-37-15-26(39-30)23-13-19-5-3-4-6-24(19)40-31(23)46-2;1-26(2,3)34-25(32)28-17-21(14-15-22(28)23(29)30)27(16-19-10-6-4-7-11-19)24(31)33-18-20-12-8-5-9-13-20;1-12(2,3)20-11(18)15-9(10(17)19-4)6-5-8(16)7-14-13;1-12(2,3)18-11(16)13-7-8(14)5-6-9(13)10(15)17-4;1-16-12-9(11(15)7-14)6-8-4-2-3-5-10(8)13-12;1-19-6-2-3-7-8(4-6)16(5-9(17)18)10(15-7)11(12,13)14;1-11(2,3)17-10(15)12-7(9(14)16-4)5-6-8(12)13;1-5-6(2,3)4;5-4-1-2-6-3-4/h2*5-18,21-22,29,33H,19-20,23-25H2,1-4H3,(H,39,40);5-18,21,29,32H,19-20,22-25H2,1-4H3;2*3-6,8-9,13-15,20-21,27,38H,7,10-12,16-18H2,1-2H3,(H,37,39);4-13,21-22H,14-18H2,1-3H3,(H,29,30);7,9H,5-6H2,1-4H3,(H,15,18);9H,5-7H2,1-4H3;2-6,14H,7H2,1H3;2-4H,5H2,1H3,(H,17,18);7H,5-6H2,1-4H3;5H,1H2,2-4H3;1-3H2/t29-,33+;29-,33-;29?,32-;20-,21?,27+;20-,21?,27-;21?,22-;2*9-;;;7-;;/m10010000..0../s1
InChIKeySIYUNODCMZDJBK-WTDDHSLMSA-N
MW5194.80 g/mol
LogP45.83
Rot. Bonds63

About (2S)-5-[benzyl(phenylmethoxycarbonyl)amino]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;tert-butyl (2S,5S)-5-[benzyl(phenylmethoxycarbonyl)amino]-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidine-1-carboxylate;tert-butyl (2S,5R)-5-[benzyl(phenylmethoxycarbonyl)amino]-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidine-1-carboxylate;1-O-tert-butyl 2-O-[2-(2-methoxyquinolin-3-yl)-2-oxoethyl] (2S)-5-[benzyl(phenylmethoxycarbonyl)amino]piperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S)-5-oxopiperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate;ethenyl(trimethyl)silane;2-hydroxy-1-(2-methoxyquinolin-3-yl)ethanone;1-[(2S,5S)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-5-(oxolan-3-ylamino)piperidin-1-yl]-2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]ethanone;1-[(2S,5R)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-5-(oxolan-3-ylamino)piperidin-1-yl]-2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]ethanone;2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]acetic acid;methyl (2S)-6-diazo-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxohexanoate;oxolan-3-one

(2S)-5-[benzyl(phenylmethoxycarbonyl)amino]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;tert-butyl (2S,5S)-5-[benzyl(phenylmethoxycarbonyl)amino]-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidine-1-carboxylate;tert-butyl (2S,5R)-5-[benzyl(phenylmethoxycarbonyl)amino]-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidine-1-carboxylate;1-O-tert-butyl 2-O-[2-(2-methoxyquinolin-3-yl)-2-oxoethyl] (2S)-5-[benzyl(phenylmethoxycarbonyl)amino]piperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S)-5-oxopiperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate;ethenyl(trimethyl)silane;2-hydroxy-1-(2-methoxyquinolin-3-yl)ethanone;1-[(2S,5S)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-5-(oxolan-3-ylamino)piperidin-1-yl]-2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]ethanone;1-[(2S,5R)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-5-(oxolan-3-ylamino)piperidin-1-yl]-2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]ethanone;2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]acetic acid;methyl (2S)-6-diazo-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxohexanoate;oxolan-3-one (PubChem CID 160848607) has the molecular formula C273H316F9N37O55Si and a molecular weight of 5194.80 g/mol. Its IUPAC name is (2S)-5-[benzyl(phenylmethoxycarbonyl)amino]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;tert-butyl (2S,5S)-5-[benzyl(phenylmethoxycarbonyl)amino]-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidine-1-carboxylate;tert-butyl (2S,5R)-5-[benzyl(phenylmethoxycarbonyl)amino]-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidine-1-carboxylate;1-O-tert-butyl 2-O-[2-(2-methoxyquinolin-3-yl)-2-oxoethyl] (2S)-5-[benzyl(phenylmethoxycarbonyl)amino]piperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S)-5-oxopiperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate;ethenyl(trimethyl)silane;2-hydroxy-1-(2-methoxyquinolin-3-yl)ethanone;1-[(2S,5S)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-5-(oxolan-3-ylamino)piperidin-1-yl]-2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]ethanone;1-[(2S,5R)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-5-(oxolan-3-ylamino)piperidin-1-yl]-2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]ethanone;2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]acetic acid;methyl (2S)-6-diazo-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxohexanoate;oxolan-3-one.

Molecular Properties

Compound Name(2S)-5-[benzyl(phenylmethoxycarbonyl)amino]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;tert-butyl (2S,5S)-5-[benzyl(phenylmethoxycarbonyl)amino]-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidine-1-carboxylate;tert-butyl (2S,5R)-5-[benzyl(phenylmethoxycarbonyl)amino]-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidine-1-carboxylate;1-O-tert-butyl 2-O-[2-(2-methoxyquinolin-3-yl)-2-oxoethyl] (2S)-5-[benzyl(phenylmethoxycarbonyl)amino]piperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S)-5-oxopiperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate;ethenyl(trimethyl)silane;2-hydroxy-1-(2-methoxyquinolin-3-yl)ethanone;1-[(2S,5S)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-5-(oxolan-3-ylamino)piperidin-1-yl]-2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]ethanone;1-[(2S,5R)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-5-(oxolan-3-ylamino)piperidin-1-yl]-2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]ethanone;2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]acetic acid;methyl (2S)-6-diazo-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxohexanoate;oxolan-3-one
PubChem CID160848607
Molecular FormulaC273H316F9N37O55Si
Molecular Weight5194.80 g/mol
Exact Mass5191.27
IUPAC Name(2S)-5-[benzyl(phenylmethoxycarbonyl)amino]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;tert-butyl (2S,5S)-5-[benzyl(phenylmethoxycarbonyl)amino]-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidine-1-carboxylate;tert-butyl (2S,5R)-5-[benzyl(phenylmethoxycarbonyl)amino]-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidine-1-carboxylate;1-O-tert-butyl 2-O-[2-(2-methoxyquinolin-3-yl)-2-oxoethyl] (2S)-5-[benzyl(phenylmethoxycarbonyl)amino]piperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S)-5-oxopiperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate;ethenyl(trimethyl)silane;2-hydroxy-1-(2-methoxyquinolin-3-yl)ethanone;1-[(2S,5S)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-5-(oxolan-3-ylamino)piperidin-1-yl]-2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]ethanone;1-[(2S,5R)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-5-(oxolan-3-ylamino)piperidin-1-yl]-2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]ethanone;2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]acetic acid;methyl (2S)-6-diazo-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxohexanoate;oxolan-3-one
SMILESC=C[Si](C)(C)C.CC(C)(C)OC(=O)N1CC(N(Cc2ccccc2)C(=O)OCc2ccccc2)CC[C@H]1C(=O)O.COC(=O)[C@@H]1CCC(=O)CN1C(=O)OC(C)(C)C.COC(=O)[C@@H]1CCC(=O)N1C(=O)OC(C)(C)C.COC(=O)[C@H](CCC(=O)C=[N+]=[N-])NC(=O)OC(C)(C)C.COc1ccc2nc(C(F)(F)F)n(CC(=O)N3C[C@@H](NC4CCOC4)CC[C@H]3c3ncc(-c4cc5ccccc5nc4OC)[nH]3)c2c1.COc1ccc2nc(C(F)(F)F)n(CC(=O)N3C[C@H](NC4CCOC4)CC[C@H]3c3ncc(-c4cc5ccccc5nc4OC)[nH]3)c2c1.COc1ccc2nc(C(F)(F)F)n(CC(=O)O)c2c1.COc1nc2ccccc2cc1-c1cnc([C@@H]2CC[C@@H](N(Cc3ccccc3)C(=O)OCc3ccccc3)CN2C(=O)OC(C)(C)C)[nH]1.COc1nc2ccccc2cc1-c1cnc([C@@H]2CC[C@H](N(Cc3ccccc3)C(=O)OCc3ccccc3)CN2C(=O)OC(C)(C)C)[nH]1.COc1nc2ccccc2cc1C(=O)CO.COc1nc2ccccc2cc1C(=O)COC(=O)[C@@H]1CCC(N(Cc2ccccc2)C(=O)OCc2ccccc2)CN1C(=O)OC(C)(C)C.O=C1CCOC1
InChIInChI=1S/2C38H41N5O5.C38H41N3O8.2C33H34F3N7O4.C26H32N2O6.C12H19N3O5.C12H19NO5.C12H11NO3.C11H9F3N2O3.C11H17NO5.C5H12Si.C4H6O2/c2*1-38(2,3)48-37(45)43-24-29(42(23-26-13-7-5-8-14-26)36(44)47-25-27-15-9-6-10-16-27)19-20-33(43)34-39-22-32(40-34)30-21-28-17-11-12-18-31(28)41-35(30)46-4;1-38(2,3)49-37(45)41-23-29(40(22-26-13-7-5-8-14-26)36(44)48-24-27-15-9-6-10-16-27)19-20-32(41)35(43)47-25-33(42)30-21-28-17-11-12-18-31(28)39-34(30)46-4;2*1-45-22-8-9-25-28(14-22)43(32(41-25)33(34,35)36)17-29(44)42-16-20(38-21-11-12-47-18-21)7-10-27(42)30-37-15-26(39-30)23-13-19-5-3-4-6-24(19)40-31(23)46-2;1-26(2,3)34-25(32)28-17-21(14-15-22(28)23(29)30)27(16-19-10-6-4-7-11-19)24(31)33-18-20-12-8-5-9-13-20;1-12(2,3)20-11(18)15-9(10(17)19-4)6-5-8(16)7-14-13;1-12(2,3)18-11(16)13-7-8(14)5-6-9(13)10(15)17-4;1-16-12-9(11(15)7-14)6-8-4-2-3-5-10(8)13-12;1-19-6-2-3-7-8(4-6)16(5-9(17)18)10(15-7)11(12,13)14;1-11(2,3)17-10(15)12-7(9(14)16-4)5-6-8(12)13;1-5-6(2,3)4;5-4-1-2-6-3-4/h2*5-18,21-22,29,33H,19-20,23-25H2,1-4H3,(H,39,40);5-18,21,29,32H,19-20,22-25H2,1-4H3;2*3-6,8-9,13-15,20-21,27,38H,7,10-12,16-18H2,1-2H3,(H,37,39);4-13,21-22H,14-18H2,1-3H3,(H,29,30);7,9H,5-6H2,1-4H3,(H,15,18);9H,5-7H2,1-4H3;2-6,14H,7H2,1H3;2-4H,5H2,1H3,(H,17,18);7H,5-6H2,1-4H3;5H,1H2,2-4H3;1-3H2/t29-,33+;29-,33-;29?,32-;20-,21?,27+;20-,21?,27-;21?,22-;2*9-;;;7-;;/m10010000..0../s1
InChIKeySIYUNODCMZDJBK-WTDDHSLMSA-N
XLogP45.83
TPSA1093.54 Ų
H-Bond Donors10
H-Bond Acceptors71
Rotatable Bonds63
Heavy Atoms375
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005194.80
LogP ≤ 545.83
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1071

Analyze (2S)-5-[benzyl(phenylmethoxycarbonyl)amino]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;tert-butyl (2S,5S)-5-[benzyl(phenylmethoxycarbonyl)amino]-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidine-1-carboxylate;tert-butyl (2S,5R)-5-[benzyl(phenylmethoxycarbonyl)amino]-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidine-1-carboxylate;1-O-tert-butyl 2-O-[2-(2-methoxyquinolin-3-yl)-2-oxoethyl] (2S)-5-[benzyl(phenylmethoxycarbonyl)amino]piperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S)-5-oxopiperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate;ethenyl(trimethyl)silane;2-hydroxy-1-(2-methoxyquinolin-3-yl)ethanone;1-[(2S,5S)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-5-(oxolan-3-ylamino)piperidin-1-yl]-2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]ethanone;1-[(2S,5R)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-5-(oxolan-3-ylamino)piperidin-1-yl]-2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]ethanone;2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]acetic acid;methyl (2S)-6-diazo-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxohexanoate;oxolan-3-one with MolForge

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What is the IUPAC name of (2S)-5-[benzyl(phenylmethoxycarbonyl)amino]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;tert-butyl (2S,5S)-5-[benzyl(phenylmethoxycarbonyl)amino]-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidine-1-carboxylate;tert-butyl (2S,5R)-5-[benzyl(phenylmethoxycarbonyl)amino]-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidine-1-carboxylate;1-O-tert-butyl 2-O-[2-(2-methoxyquinolin-3-yl)-2-oxoethyl] (2S)-5-[benzyl(phenylmethoxycarbonyl)amino]piperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S)-5-oxopiperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate;ethenyl(trimethyl)silane;2-hydroxy-1-(2-methoxyquinolin-3-yl)ethanone;1-[(2S,5S)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-5-(oxolan-3-ylamino)piperidin-1-yl]-2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]ethanone;1-[(2S,5R)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-5-(oxolan-3-ylamino)piperidin-1-yl]-2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]ethanone;2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]acetic acid;methyl (2S)-6-diazo-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxohexanoate;oxolan-3-one?
The IUPAC name of (2S)-5-[benzyl(phenylmethoxycarbonyl)amino]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;tert-butyl (2S,5S)-5-[benzyl(phenylmethoxycarbonyl)amino]-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidine-1-carboxylate;tert-butyl (2S,5R)-5-[benzyl(phenylmethoxycarbonyl)amino]-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidine-1-carboxylate;1-O-tert-butyl 2-O-[2-(2-methoxyquinolin-3-yl)-2-oxoethyl] (2S)-5-[benzyl(phenylmethoxycarbonyl)amino]piperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S)-5-oxopiperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate;ethenyl(trimethyl)silane;2-hydroxy-1-(2-methoxyquinolin-3-yl)ethanone;1-[(2S,5S)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-5-(oxolan-3-ylamino)piperidin-1-yl]-2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]ethanone;1-[(2S,5R)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-5-(oxolan-3-ylamino)piperidin-1-yl]-2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]ethanone;2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]acetic acid;methyl (2S)-6-diazo-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxohexanoate;oxolan-3-one (CID 160848607) is (2S)-5-[benzyl(phenylmethoxycarbonyl)amino]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;tert-butyl (2S,5S)-5-[benzyl(phenylmethoxycarbonyl)amino]-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidine-1-carboxylate;tert-butyl (2S,5R)-5-[benzyl(phenylmethoxycarbonyl)amino]-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidine-1-carboxylate;1-O-tert-butyl 2-O-[2-(2-methoxyquinolin-3-yl)-2-oxoethyl] (2S)-5-[benzyl(phenylmethoxycarbonyl)amino]piperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S)-5-oxopiperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate;ethenyl(trimethyl)silane;2-hydroxy-1-(2-methoxyquinolin-3-yl)ethanone;1-[(2S,5S)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-5-(oxolan-3-ylamino)piperidin-1-yl]-2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]ethanone;1-[(2S,5R)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-5-(oxolan-3-ylamino)piperidin-1-yl]-2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]ethanone;2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]acetic acid;methyl (2S)-6-diazo-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxohexanoate;oxolan-3-one.
What is the SMILES notation for (2S)-5-[benzyl(phenylmethoxycarbonyl)amino]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;tert-butyl (2S,5S)-5-[benzyl(phenylmethoxycarbonyl)amino]-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidine-1-carboxylate;tert-butyl (2S,5R)-5-[benzyl(phenylmethoxycarbonyl)amino]-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidine-1-carboxylate;1-O-tert-butyl 2-O-[2-(2-methoxyquinolin-3-yl)-2-oxoethyl] (2S)-5-[benzyl(phenylmethoxycarbonyl)amino]piperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S)-5-oxopiperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate;ethenyl(trimethyl)silane;2-hydroxy-1-(2-methoxyquinolin-3-yl)ethanone;1-[(2S,5S)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-5-(oxolan-3-ylamino)piperidin-1-yl]-2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]ethanone;1-[(2S,5R)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-5-(oxolan-3-ylamino)piperidin-1-yl]-2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]ethanone;2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]acetic acid;methyl (2S)-6-diazo-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxohexanoate;oxolan-3-one?
The canonical SMILES for (2S)-5-[benzyl(phenylmethoxycarbonyl)amino]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;tert-butyl (2S,5S)-5-[benzyl(phenylmethoxycarbonyl)amino]-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidine-1-carboxylate;tert-butyl (2S,5R)-5-[benzyl(phenylmethoxycarbonyl)amino]-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidine-1-carboxylate;1-O-tert-butyl 2-O-[2-(2-methoxyquinolin-3-yl)-2-oxoethyl] (2S)-5-[benzyl(phenylmethoxycarbonyl)amino]piperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S)-5-oxopiperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate;ethenyl(trimethyl)silane;2-hydroxy-1-(2-methoxyquinolin-3-yl)ethanone;1-[(2S,5S)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-5-(oxolan-3-ylamino)piperidin-1-yl]-2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]ethanone;1-[(2S,5R)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-5-(oxolan-3-ylamino)piperidin-1-yl]-2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]ethanone;2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]acetic acid;methyl (2S)-6-diazo-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxohexanoate;oxolan-3-one is C=C[Si](C)(C)C.CC(C)(C)OC(=O)N1CC(N(Cc2ccccc2)C(=O)OCc2ccccc2)CC[C@H]1C(=O)O.COC(=O)[C@@H]1CCC(=O)CN1C(=O)OC(C)(C)C.COC(=O)[C@@H]1CCC(=O)N1C(=O)OC(C)(C)C.COC(=O)[C@H](CCC(=O)C=[N+]=[N-])NC(=O)OC(C)(C)C.COc1ccc2nc(C(F)(F)F)n(CC(=O)N3C[C@@H](NC4CCOC4)CC[C@H]3c3ncc(-c4cc5ccccc5nc4OC)[nH]3)c2c1.COc1ccc2nc(C(F)(F)F)n(CC(=O)N3C[C@H](NC4CCOC4)CC[C@H]3c3ncc(-c4cc5ccccc5nc4OC)[nH]3)c2c1.COc1ccc2nc(C(F)(F)F)n(CC(=O)O)c2c1.COc1nc2ccccc2cc1-c1cnc([C@@H]2CC[C@@H](N(Cc3ccccc3)C(=O)OCc3ccccc3)CN2C(=O)OC(C)(C)C)[nH]1.COc1nc2ccccc2cc1-c1cnc([C@@H]2CC[C@H](N(Cc3ccccc3)C(=O)OCc3ccccc3)CN2C(=O)OC(C)(C)C)[nH]1.COc1nc2ccccc2cc1C(=O)CO.COc1nc2ccccc2cc1C(=O)COC(=O)[C@@H]1CCC(N(Cc2ccccc2)C(=O)OCc2ccccc2)CN1C(=O)OC(C)(C)C.O=C1CCOC1.
What is the InChIKey of (2S)-5-[benzyl(phenylmethoxycarbonyl)amino]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;tert-butyl (2S,5S)-5-[benzyl(phenylmethoxycarbonyl)amino]-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidine-1-carboxylate;tert-butyl (2S,5R)-5-[benzyl(phenylmethoxycarbonyl)amino]-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidine-1-carboxylate;1-O-tert-butyl 2-O-[2-(2-methoxyquinolin-3-yl)-2-oxoethyl] (2S)-5-[benzyl(phenylmethoxycarbonyl)amino]piperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S)-5-oxopiperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate;ethenyl(trimethyl)silane;2-hydroxy-1-(2-methoxyquinolin-3-yl)ethanone;1-[(2S,5S)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-5-(oxolan-3-ylamino)piperidin-1-yl]-2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]ethanone;1-[(2S,5R)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-5-(oxolan-3-ylamino)piperidin-1-yl]-2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]ethanone;2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]acetic acid;methyl (2S)-6-diazo-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxohexanoate;oxolan-3-one?
The InChIKey is SIYUNODCMZDJBK-WTDDHSLMSA-N. The full InChI is InChI=1S/2C38H41N5O5.C38H41N3O8.2C33H34F3N7O4.C26H32N2O6.C12H19N3O5.C12H19NO5.C12H11NO3.C11H9F3N2O3.C11H17NO5.C5H12Si.C4H6O2/c2*1-38(2,3)48-37(45)43-24-29(42(23-26-13-7-5-8-14-26)36(44)47-25-27-15-9-6-10-16-27)19-20-33(43)34-39-22-32(40-34)30-21-28-17-11-12-18-31(28)41-35(30)46-4;1-38(2,3)49-37(45)41-23-29(40(22-26-13-7-5-8-14-26)36(44)48-24-27-15-9-6-10-16-27)19-20-32(41)35(43)47-25-33(42)30-21-28-17-11-12-18-31(28)39-34(30)46-4;2*1-45-22-8-9-25-28(14-22)43(32(41-25)33(34,35)36)17-29(44)42-16-20(38-21-11-12-47-18-21)7-10-27(42)30-37-15-26(39-30)23-13-19-5-3-4-6-24(19)40-31(23)46-2;1-26(2,3)34-25(32)28-17-21(14-15-22(28)23(29)30)27(16-19-10-6-4-7-11-19)24(31)33-18-20-12-8-5-9-13-20;1-12(2,3)20-11(18)15-9(10(17)19-4)6-5-8(16)7-14-13;1-12(2,3)18-11(16)13-7-8(14)5-6-9(13)10(15)17-4;1-16-12-9(11(15)7-14)6-8-4-2-3-5-10(8)13-12;1-19-6-2-3-7-8(4-6)16(5-9(17)18)10(15-7)11(12,13)14;1-11(2,3)17-10(15)12-7(9(14)16-4)5-6-8(12)13;1-5-6(2,3)4;5-4-1-2-6-3-4/h2*5-18,21-22,29,33H,19-20,23-25H2,1-4H3,(H,39,40);5-18,21,29,32H,19-20,22-25H2,1-4H3;2*3-6,8-9,13-15,20-21,27,38H,7,10-12,16-18H2,1-2H3,(H,37,39);4-13,21-22H,14-18H2,1-3H3,(H,29,30);7,9H,5-6H2,1-4H3,(H,15,18);9H,5-7H2,1-4H3;2-6,14H,7H2,1H3;2-4H,5H2,1H3,(H,17,18);7H,5-6H2,1-4H3;5H,1H2,2-4H3;1-3H2/t29-,33+;29-,33-;29?,32-;20-,21?,27+;20-,21?,27-;21?,22-;2*9-;;;7-;;/m10010000..0../s1.
What are the key properties of (2S)-5-[benzyl(phenylmethoxycarbonyl)amino]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;tert-butyl (2S,5S)-5-[benzyl(phenylmethoxycarbonyl)amino]-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidine-1-carboxylate;tert-butyl (2S,5R)-5-[benzyl(phenylmethoxycarbonyl)amino]-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidine-1-carboxylate;1-O-tert-butyl 2-O-[2-(2-methoxyquinolin-3-yl)-2-oxoethyl] (2S)-5-[benzyl(phenylmethoxycarbonyl)amino]piperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S)-5-oxopiperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate;ethenyl(trimethyl)silane;2-hydroxy-1-(2-methoxyquinolin-3-yl)ethanone;1-[(2S,5S)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-5-(oxolan-3-ylamino)piperidin-1-yl]-2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]ethanone;1-[(2S,5R)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-5-(oxolan-3-ylamino)piperidin-1-yl]-2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]ethanone;2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]acetic acid;methyl (2S)-6-diazo-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxohexanoate;oxolan-3-one?
(2S)-5-[benzyl(phenylmethoxycarbonyl)amino]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;tert-butyl (2S,5S)-5-[benzyl(phenylmethoxycarbonyl)amino]-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidine-1-carboxylate;tert-butyl (2S,5R)-5-[benzyl(phenylmethoxycarbonyl)amino]-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidine-1-carboxylate;1-O-tert-butyl 2-O-[2-(2-methoxyquinolin-3-yl)-2-oxoethyl] (2S)-5-[benzyl(phenylmethoxycarbonyl)amino]piperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S)-5-oxopiperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate;ethenyl(trimethyl)silane;2-hydroxy-1-(2-methoxyquinolin-3-yl)ethanone;1-[(2S,5S)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-5-(oxolan-3-ylamino)piperidin-1-yl]-2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]ethanone;1-[(2S,5R)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-5-(oxolan-3-ylamino)piperidin-1-yl]-2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]ethanone;2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]acetic acid;methyl (2S)-6-diazo-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxohexanoate;oxolan-3-one has a molecular weight of 5194.80 g/mol, XLogP of 45.83, 63 rotatable bonds, 10 hydrogen bond donors, and 71 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-[benzyl(phenylmethoxycarbonyl)amino]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;tert-butyl (2S,5S)-5-[benzyl(phenylmethoxycarbonyl)amino]-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidine-1-carboxylate;tert-butyl (2S,5R)-5-[benzyl(phenylmethoxycarbonyl)amino]-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperidine-1-carboxylate;1-O-tert-butyl 2-O-[2-(2-methoxyquinolin-3-yl)-2-oxoethyl] (2S)-5-[benzyl(phenylmethoxycarbonyl)amino]piperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S)-5-oxopiperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate;ethenyl(trimethyl)silane;2-hydroxy-1-(2-methoxyquinolin-3-yl)ethanone;1-[(2S,5S)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-5-(oxolan-3-ylamino)piperidin-1-yl]-2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]ethanone;1-[(2S,5R)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-5-(oxolan-3-ylamino)piperidin-1-yl]-2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]ethanone;2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]acetic acid;methyl (2S)-6-diazo-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxohexanoate;oxolan-3-one is sourced from PubChem (CID 160848607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).