tert-butyl (3R,4R)-1-[4-[2-[(8-ethyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-3-methylphenyl]-1,3-thiazol-2-yl]-3-methoxypiperidine-4-carboxylate;tert-butyl (3R,4R)-1-[4-[2-[(8-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-3-methylphenyl]-1,3-thiazol-2-yl]-3-methoxypiperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[4-[2-[(8-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-3-methylphenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-methoxy-1-[4-[2-[(8-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-3-methylphenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-methoxy-1-[4-[3-methyl-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[4-[3-methyl-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[4-[3-methyl-2-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-methoxy-1-[4-[3-methyl-2-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate

C256H327FN24O34S8 — CID 158777961

IUPACtert-butyl (3R,4R)-1-[4-[2-[(8-ethyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-3-methylphenyl]-1,3-thiazol-2-yl]-3-methoxypiperidine-4-carboxylate;tert-butyl (3R,4R)-1-[4-[2-[(8-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-3-methylphenyl]-1,3-thiazol-2-yl]-3-methoxypiperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[4-[2-[(8-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-3-methylphenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-methoxy-1-[4-[2-[(8-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-3-methylphenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-methoxy-1-[4-[3-methyl-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[4-[3-methyl-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[4-[3-methyl-2-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-methoxy-1-[4-[3-methyl-2-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate
SMILESCCc1cc(COc2c(C)cccc2-c2csc(N3CC[C@@H](C(=O)OC(C)(C)C)[C@@H](OC)C3)n2)cc2c1CNCC2.CO[C@@H]1CN(c2nc(-c3cccc(C)c3OCc3cc(C)c4c(c3)CCNC4)cs2)CC[C@@H]1C(=O)OC(C)(C)C.CO[C@@H]1CN(c2nc(-c3cccc(C)c3OCc3ccc4c(c3C)CCNC4)cs2)CC[C@@H]1C(=O)OC(C)(C)C.CO[C@H]1CN(c2nc(-c3cccc(C)c3OCc3cc(C)c4c(c3)CCNC4)cs2)CCC1C(=O)OC(C)(C)C.CO[C@H]1CN(c2nc(-c3cccc(C)c3OCc3cc(F)c4c(c3)CCNC4)cs2)CC[C@H]1C(=O)OC(C)(C)C.CO[C@H]1CN(c2nc(-c3cccc(C)c3OCc3ccc4c(c3C)CCNC4)cs2)CC[C@H]1C(=O)OC(C)(C)C.COc1cc(COc2c(C)cccc2-c2csc(N3CC[C@@H](C(=O)OC(C)(C)C)[C@@H](OC)C3)n2)cc2c1CNCC2.COc1cc(COc2c(C)cccc2-c2csc(N3CC[C@H](C(=O)OC(C)(C)C)[C@H](OC)C3)n2)cc2c1CNCC2
InChIInChI=1S/C33H43N3O4S.2C32H41N3O5S.4C32H41N3O4S.C31H38FN3O4S/c1-7-23-15-22(16-24-11-13-34-17-27(23)24)19-39-30-21(2)9-8-10-25(30)28-20-41-32(35-28)36-14-12-26(29(18-36)38-6)31(37)40-33(3,4)5;2*1-20-8-7-9-23(29(20)39-18-21-14-22-10-12-33-16-25(22)27(15-21)37-5)26-19-41-31(34-26)35-13-11-24(28(17-35)38-6)30(36)40-32(2,3)4;2*1-20-8-7-9-24(29(20)38-18-22-14-21(2)26-16-33-12-10-23(26)15-22)27-19-40-31(34-27)35-13-11-25(28(17-35)37-6)30(36)39-32(3,4)5;2*1-20-8-7-9-25(29(20)38-18-23-11-10-22-16-33-14-12-24(22)21(23)2)27-19-40-31(34-27)35-15-13-26(28(17-35)37-6)30(36)39-32(3,4)5;1-19-7-6-8-22(28(19)38-17-20-13-21-9-11-33-15-24(21)25(32)14-20)26-18-40-30(34-26)35-12-10-23(27(16-35)37-5)29(36)39-31(2,3)4/h8-10,15-16,20,26,29,34H,7,11-14,17-19H2,1-6H3;2*7-9,14-15,19,24,28,33H,10-13,16-18H2,1-6H3;2*7-9,14-15,19,25,28,33H,10-13,16-18H2,1-6H3;2*7-11,19,26,28,33H,12-18H2,1-6H3;6-8,13-14,18,23,27,33H,9-12,15-17H2,1-5H3/t26-,29+;2*24-,28+;25?,28-;25-,28+;2*26-,28+;23-,27+/m11000101/s1
InChIKeyIQSCIFKIFFHDHL-VLIGAEEPSA-N
MW4560.10 g/mol
LogP46.16
Rot. Bonds59

About tert-butyl (3R,4R)-1-[4-[2-[(8-ethyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-3-methylphenyl]-1,3-thiazol-2-yl]-3-methoxypiperidine-4-carboxylate;tert-butyl (3R,4R)-1-[4-[2-[(8-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-3-methylphenyl]-1,3-thiazol-2-yl]-3-methoxypiperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[4-[2-[(8-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-3-methylphenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-methoxy-1-[4-[2-[(8-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-3-methylphenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-methoxy-1-[4-[3-methyl-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[4-[3-methyl-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[4-[3-methyl-2-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-methoxy-1-[4-[3-methyl-2-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate

tert-butyl (3R,4R)-1-[4-[2-[(8-ethyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-3-methylphenyl]-1,3-thiazol-2-yl]-3-methoxypiperidine-4-carboxylate;tert-butyl (3R,4R)-1-[4-[2-[(8-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-3-methylphenyl]-1,3-thiazol-2-yl]-3-methoxypiperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[4-[2-[(8-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-3-methylphenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-methoxy-1-[4-[2-[(8-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-3-methylphenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-methoxy-1-[4-[3-methyl-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[4-[3-methyl-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[4-[3-methyl-2-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-methoxy-1-[4-[3-methyl-2-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate (PubChem CID 158777961) has the molecular formula C256H327FN24O34S8 and a molecular weight of 4560.10 g/mol. Its IUPAC name is tert-butyl (3R,4R)-1-[4-[2-[(8-ethyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-3-methylphenyl]-1,3-thiazol-2-yl]-3-methoxypiperidine-4-carboxylate;tert-butyl (3R,4R)-1-[4-[2-[(8-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-3-methylphenyl]-1,3-thiazol-2-yl]-3-methoxypiperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[4-[2-[(8-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-3-methylphenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-methoxy-1-[4-[2-[(8-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-3-methylphenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-methoxy-1-[4-[3-methyl-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[4-[3-methyl-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[4-[3-methyl-2-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-methoxy-1-[4-[3-methyl-2-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R,4R)-1-[4-[2-[(8-ethyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-3-methylphenyl]-1,3-thiazol-2-yl]-3-methoxypiperidine-4-carboxylate;tert-butyl (3R,4R)-1-[4-[2-[(8-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-3-methylphenyl]-1,3-thiazol-2-yl]-3-methoxypiperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[4-[2-[(8-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-3-methylphenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-methoxy-1-[4-[2-[(8-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-3-methylphenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-methoxy-1-[4-[3-methyl-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[4-[3-methyl-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[4-[3-methyl-2-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-methoxy-1-[4-[3-methyl-2-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate
PubChem CID158777961
Molecular FormulaC256H327FN24O34S8
Molecular Weight4560.10 g/mol
Exact Mass4556.23
IUPAC Nametert-butyl (3R,4R)-1-[4-[2-[(8-ethyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-3-methylphenyl]-1,3-thiazol-2-yl]-3-methoxypiperidine-4-carboxylate;tert-butyl (3R,4R)-1-[4-[2-[(8-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-3-methylphenyl]-1,3-thiazol-2-yl]-3-methoxypiperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[4-[2-[(8-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-3-methylphenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-methoxy-1-[4-[2-[(8-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-3-methylphenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-methoxy-1-[4-[3-methyl-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[4-[3-methyl-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[4-[3-methyl-2-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-methoxy-1-[4-[3-methyl-2-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate
SMILESCCc1cc(COc2c(C)cccc2-c2csc(N3CC[C@@H](C(=O)OC(C)(C)C)[C@@H](OC)C3)n2)cc2c1CNCC2.CO[C@@H]1CN(c2nc(-c3cccc(C)c3OCc3cc(C)c4c(c3)CCNC4)cs2)CC[C@@H]1C(=O)OC(C)(C)C.CO[C@@H]1CN(c2nc(-c3cccc(C)c3OCc3ccc4c(c3C)CCNC4)cs2)CC[C@@H]1C(=O)OC(C)(C)C.CO[C@H]1CN(c2nc(-c3cccc(C)c3OCc3cc(C)c4c(c3)CCNC4)cs2)CCC1C(=O)OC(C)(C)C.CO[C@H]1CN(c2nc(-c3cccc(C)c3OCc3cc(F)c4c(c3)CCNC4)cs2)CC[C@H]1C(=O)OC(C)(C)C.CO[C@H]1CN(c2nc(-c3cccc(C)c3OCc3ccc4c(c3C)CCNC4)cs2)CC[C@H]1C(=O)OC(C)(C)C.COc1cc(COc2c(C)cccc2-c2csc(N3CC[C@@H](C(=O)OC(C)(C)C)[C@@H](OC)C3)n2)cc2c1CNCC2.COc1cc(COc2c(C)cccc2-c2csc(N3CC[C@H](C(=O)OC(C)(C)C)[C@H](OC)C3)n2)cc2c1CNCC2
InChIInChI=1S/C33H43N3O4S.2C32H41N3O5S.4C32H41N3O4S.C31H38FN3O4S/c1-7-23-15-22(16-24-11-13-34-17-27(23)24)19-39-30-21(2)9-8-10-25(30)28-20-41-32(35-28)36-14-12-26(29(18-36)38-6)31(37)40-33(3,4)5;2*1-20-8-7-9-23(29(20)39-18-21-14-22-10-12-33-16-25(22)27(15-21)37-5)26-19-41-31(34-26)35-13-11-24(28(17-35)38-6)30(36)40-32(2,3)4;2*1-20-8-7-9-24(29(20)38-18-22-14-21(2)26-16-33-12-10-23(26)15-22)27-19-40-31(34-27)35-13-11-25(28(17-35)37-6)30(36)39-32(3,4)5;2*1-20-8-7-9-25(29(20)38-18-23-11-10-22-16-33-14-12-24(22)21(23)2)27-19-40-31(34-27)35-15-13-26(28(17-35)37-6)30(36)39-32(3,4)5;1-19-7-6-8-22(28(19)38-17-20-13-21-9-11-33-15-24(21)25(32)14-20)26-18-40-30(34-26)35-12-10-23(27(16-35)37-5)29(36)39-31(2,3)4/h8-10,15-16,20,26,29,34H,7,11-14,17-19H2,1-6H3;2*7-9,14-15,19,24,28,33H,10-13,16-18H2,1-6H3;2*7-9,14-15,19,25,28,33H,10-13,16-18H2,1-6H3;2*7-11,19,26,28,33H,12-18H2,1-6H3;6-8,13-14,18,23,27,33H,9-12,15-17H2,1-5H3/t26-,29+;2*24-,28+;25?,28-;25-,28+;2*26-,28+;23-,27+/m11000101/s1
InChIKeyIQSCIFKIFFHDHL-VLIGAEEPSA-N
XLogP46.16
TPSA601.82 Ų
H-Bond Donors8
H-Bond Acceptors66
Rotatable Bonds59
Heavy Atoms323
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004560.10
LogP ≤ 546.16
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1066

Analyze tert-butyl (3R,4R)-1-[4-[2-[(8-ethyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-3-methylphenyl]-1,3-thiazol-2-yl]-3-methoxypiperidine-4-carboxylate;tert-butyl (3R,4R)-1-[4-[2-[(8-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-3-methylphenyl]-1,3-thiazol-2-yl]-3-methoxypiperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[4-[2-[(8-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-3-methylphenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-methoxy-1-[4-[2-[(8-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-3-methylphenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-methoxy-1-[4-[3-methyl-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[4-[3-methyl-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[4-[3-methyl-2-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-methoxy-1-[4-[3-methyl-2-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R,4R)-1-[4-[2-[(8-ethyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-3-methylphenyl]-1,3-thiazol-2-yl]-3-methoxypiperidine-4-carboxylate;tert-butyl (3R,4R)-1-[4-[2-[(8-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-3-methylphenyl]-1,3-thiazol-2-yl]-3-methoxypiperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[4-[2-[(8-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-3-methylphenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-methoxy-1-[4-[2-[(8-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-3-methylphenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-methoxy-1-[4-[3-methyl-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[4-[3-methyl-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[4-[3-methyl-2-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-methoxy-1-[4-[3-methyl-2-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate?
The IUPAC name of tert-butyl (3R,4R)-1-[4-[2-[(8-ethyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-3-methylphenyl]-1,3-thiazol-2-yl]-3-methoxypiperidine-4-carboxylate;tert-butyl (3R,4R)-1-[4-[2-[(8-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-3-methylphenyl]-1,3-thiazol-2-yl]-3-methoxypiperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[4-[2-[(8-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-3-methylphenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-methoxy-1-[4-[2-[(8-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-3-methylphenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-methoxy-1-[4-[3-methyl-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[4-[3-methyl-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[4-[3-methyl-2-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-methoxy-1-[4-[3-methyl-2-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate (CID 158777961) is tert-butyl (3R,4R)-1-[4-[2-[(8-ethyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-3-methylphenyl]-1,3-thiazol-2-yl]-3-methoxypiperidine-4-carboxylate;tert-butyl (3R,4R)-1-[4-[2-[(8-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-3-methylphenyl]-1,3-thiazol-2-yl]-3-methoxypiperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[4-[2-[(8-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-3-methylphenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-methoxy-1-[4-[2-[(8-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-3-methylphenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-methoxy-1-[4-[3-methyl-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[4-[3-methyl-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[4-[3-methyl-2-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-methoxy-1-[4-[3-methyl-2-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate.
What is the SMILES notation for tert-butyl (3R,4R)-1-[4-[2-[(8-ethyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-3-methylphenyl]-1,3-thiazol-2-yl]-3-methoxypiperidine-4-carboxylate;tert-butyl (3R,4R)-1-[4-[2-[(8-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-3-methylphenyl]-1,3-thiazol-2-yl]-3-methoxypiperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[4-[2-[(8-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-3-methylphenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-methoxy-1-[4-[2-[(8-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-3-methylphenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-methoxy-1-[4-[3-methyl-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[4-[3-methyl-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[4-[3-methyl-2-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-methoxy-1-[4-[3-methyl-2-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate?
The canonical SMILES for tert-butyl (3R,4R)-1-[4-[2-[(8-ethyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-3-methylphenyl]-1,3-thiazol-2-yl]-3-methoxypiperidine-4-carboxylate;tert-butyl (3R,4R)-1-[4-[2-[(8-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-3-methylphenyl]-1,3-thiazol-2-yl]-3-methoxypiperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[4-[2-[(8-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-3-methylphenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-methoxy-1-[4-[2-[(8-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-3-methylphenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-methoxy-1-[4-[3-methyl-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[4-[3-methyl-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[4-[3-methyl-2-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-methoxy-1-[4-[3-methyl-2-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate is CCc1cc(COc2c(C)cccc2-c2csc(N3CC[C@@H](C(=O)OC(C)(C)C)[C@@H](OC)C3)n2)cc2c1CNCC2.CO[C@@H]1CN(c2nc(-c3cccc(C)c3OCc3cc(C)c4c(c3)CCNC4)cs2)CC[C@@H]1C(=O)OC(C)(C)C.CO[C@@H]1CN(c2nc(-c3cccc(C)c3OCc3ccc4c(c3C)CCNC4)cs2)CC[C@@H]1C(=O)OC(C)(C)C.CO[C@H]1CN(c2nc(-c3cccc(C)c3OCc3cc(C)c4c(c3)CCNC4)cs2)CCC1C(=O)OC(C)(C)C.CO[C@H]1CN(c2nc(-c3cccc(C)c3OCc3cc(F)c4c(c3)CCNC4)cs2)CC[C@H]1C(=O)OC(C)(C)C.CO[C@H]1CN(c2nc(-c3cccc(C)c3OCc3ccc4c(c3C)CCNC4)cs2)CC[C@H]1C(=O)OC(C)(C)C.COc1cc(COc2c(C)cccc2-c2csc(N3CC[C@@H](C(=O)OC(C)(C)C)[C@@H](OC)C3)n2)cc2c1CNCC2.COc1cc(COc2c(C)cccc2-c2csc(N3CC[C@H](C(=O)OC(C)(C)C)[C@H](OC)C3)n2)cc2c1CNCC2.
What is the InChIKey of tert-butyl (3R,4R)-1-[4-[2-[(8-ethyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-3-methylphenyl]-1,3-thiazol-2-yl]-3-methoxypiperidine-4-carboxylate;tert-butyl (3R,4R)-1-[4-[2-[(8-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-3-methylphenyl]-1,3-thiazol-2-yl]-3-methoxypiperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[4-[2-[(8-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-3-methylphenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-methoxy-1-[4-[2-[(8-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-3-methylphenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-methoxy-1-[4-[3-methyl-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[4-[3-methyl-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[4-[3-methyl-2-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-methoxy-1-[4-[3-methyl-2-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate?
The InChIKey is IQSCIFKIFFHDHL-VLIGAEEPSA-N. The full InChI is InChI=1S/C33H43N3O4S.2C32H41N3O5S.4C32H41N3O4S.C31H38FN3O4S/c1-7-23-15-22(16-24-11-13-34-17-27(23)24)19-39-30-21(2)9-8-10-25(30)28-20-41-32(35-28)36-14-12-26(29(18-36)38-6)31(37)40-33(3,4)5;2*1-20-8-7-9-23(29(20)39-18-21-14-22-10-12-33-16-25(22)27(15-21)37-5)26-19-41-31(34-26)35-13-11-24(28(17-35)38-6)30(36)40-32(2,3)4;2*1-20-8-7-9-24(29(20)38-18-22-14-21(2)26-16-33-12-10-23(26)15-22)27-19-40-31(34-27)35-13-11-25(28(17-35)37-6)30(36)39-32(3,4)5;2*1-20-8-7-9-25(29(20)38-18-23-11-10-22-16-33-14-12-24(22)21(23)2)27-19-40-31(34-27)35-15-13-26(28(17-35)37-6)30(36)39-32(3,4)5;1-19-7-6-8-22(28(19)38-17-20-13-21-9-11-33-15-24(21)25(32)14-20)26-18-40-30(34-26)35-12-10-23(27(16-35)37-5)29(36)39-31(2,3)4/h8-10,15-16,20,26,29,34H,7,11-14,17-19H2,1-6H3;2*7-9,14-15,19,24,28,33H,10-13,16-18H2,1-6H3;2*7-9,14-15,19,25,28,33H,10-13,16-18H2,1-6H3;2*7-11,19,26,28,33H,12-18H2,1-6H3;6-8,13-14,18,23,27,33H,9-12,15-17H2,1-5H3/t26-,29+;2*24-,28+;25?,28-;25-,28+;2*26-,28+;23-,27+/m11000101/s1.
What are the key properties of tert-butyl (3R,4R)-1-[4-[2-[(8-ethyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-3-methylphenyl]-1,3-thiazol-2-yl]-3-methoxypiperidine-4-carboxylate;tert-butyl (3R,4R)-1-[4-[2-[(8-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-3-methylphenyl]-1,3-thiazol-2-yl]-3-methoxypiperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[4-[2-[(8-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-3-methylphenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-methoxy-1-[4-[2-[(8-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-3-methylphenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-methoxy-1-[4-[3-methyl-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[4-[3-methyl-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[4-[3-methyl-2-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-methoxy-1-[4-[3-methyl-2-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate?
tert-butyl (3R,4R)-1-[4-[2-[(8-ethyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-3-methylphenyl]-1,3-thiazol-2-yl]-3-methoxypiperidine-4-carboxylate;tert-butyl (3R,4R)-1-[4-[2-[(8-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-3-methylphenyl]-1,3-thiazol-2-yl]-3-methoxypiperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[4-[2-[(8-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-3-methylphenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-methoxy-1-[4-[2-[(8-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-3-methylphenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-methoxy-1-[4-[3-methyl-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[4-[3-methyl-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[4-[3-methyl-2-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-methoxy-1-[4-[3-methyl-2-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate has a molecular weight of 4560.10 g/mol, XLogP of 46.16, 59 rotatable bonds, 8 hydrogen bond donors, and 66 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R,4R)-1-[4-[2-[(8-ethyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-3-methylphenyl]-1,3-thiazol-2-yl]-3-methoxypiperidine-4-carboxylate;tert-butyl (3R,4R)-1-[4-[2-[(8-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-3-methylphenyl]-1,3-thiazol-2-yl]-3-methoxypiperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[4-[2-[(8-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-3-methylphenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-methoxy-1-[4-[2-[(8-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-3-methylphenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-methoxy-1-[4-[3-methyl-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[4-[3-methyl-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[4-[3-methyl-2-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-methoxy-1-[4-[3-methyl-2-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate is sourced from PubChem (CID 158777961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).