bis(benzyl 5-cyclohexyl-3-cyclopropyl-2-[4-[4-(methoxycarbonylamino)phenyl]-3H-pyrrol-2-yl]piperidine-1-carboxylate);1-O-benzyl 2-O-[2-[4-(methoxycarbonylamino)phenyl]-2-oxoethyl] 5-cyclohexyl-3-cyclopropylpiperidine-1,2-dicarboxylate;1-O-benzyl 2-O-methyl 5-cyclohexyl-3-cyclopropylpiperidine-1,2-dicarboxylate;tert-butyl 4-[1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-5-cyclopropyl-6-[5-[4-(methoxycarbonylamino)phenyl]-1H-imidazol-2-yl]piperidin-3-yl]piperidine-1-carboxylate;tert-butyl 4-[(3R,5S,6S)-1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-5-cyclopropyl-6-[5-[4-(methoxycarbonylamino)phenyl]-1H-imidazol-2-yl]piperidin-3-yl]piperidine-1-carboxylate;(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoic acid;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;5-cyclohexyl-3-cyclopropyl-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid;methyl 3-bromo-5-chloropyridine-2-carboxylate;methyl 5-chloro-3-cyclopropylpyridine-2-carboxylate;methyl N-[4-[2-[(2S,3S,5R)-1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-3-cyclopropyl-5-piperidin-4-ylpiperidin-2-yl]-1H-imidazol-5-yl]phenyl]carbamate;methyl 5-(cyclohexen-1-yl)-3-cyclopropylpyridine-2-carboxylate;methyl 5-cyclohexyl-3-cyclopropylpiperidine-2-carboxylate;hydrochloride

C331H406BBrCl7N45O48 — CID 158704726

IUPACbis(benzyl 5-cyclohexyl-3-cyclopropyl-2-[4-[4-(methoxycarbonylamino)phenyl]-3H-pyrrol-2-yl]piperidine-1-carboxylate);1-O-benzyl 2-O-[2-[4-(methoxycarbonylamino)phenyl]-2-oxoethyl] 5-cyclohexyl-3-cyclopropylpiperidine-1,2-dicarboxylate;1-O-benzyl 2-O-methyl 5-cyclohexyl-3-cyclopropylpiperidine-1,2-dicarboxylate;tert-butyl 4-[1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-5-cyclopropyl-6-[5-[4-(methoxycarbonylamino)phenyl]-1H-imidazol-2-yl]piperidin-3-yl]piperidine-1-carboxylate;tert-butyl 4-[(3R,5S,6S)-1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-5-cyclopropyl-6-[5-[4-(methoxycarbonylamino)phenyl]-1H-imidazol-2-yl]piperidin-3-yl]piperidine-1-carboxylate;(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoic acid;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;5-cyclohexyl-3-cyclopropyl-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid;methyl 3-bromo-5-chloropyridine-2-carboxylate;methyl 5-chloro-3-cyclopropylpyridine-2-carboxylate;methyl N-[4-[2-[(2S,3S,5R)-1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-3-cyclopropyl-5-piperidin-4-ylpiperidin-2-yl]-1H-imidazol-5-yl]phenyl]carbamate;methyl 5-(cyclohexen-1-yl)-3-cyclopropylpyridine-2-carboxylate;methyl 5-cyclohexyl-3-cyclopropylpiperidine-2-carboxylate;hydrochloride
SMILESCC1(C)OB(C2=CCCCC2)OC1(C)C.COC(=O)C1C(C2CC2)CC(C2CCCCC2)CN1C(=O)OCc1ccccc1.COC(=O)C1NCC(C2CCCCC2)CC1C1CC1.COC(=O)Nc1ccc(-c2cnc(C3C(C4CC4)CC(C4CCN(C(=O)OC(C)(C)C)CC4)CN3C(=O)/C=C/c3cc(Cl)ccc3-n3cnnn3)[nH]2)cc1.COC(=O)Nc1ccc(-c2cnc([C@@H]3[C@H](C4CC4)C[C@H](C4CCN(C(=O)OC(C)(C)C)CC4)CN3C(=O)/C=C/c3cc(Cl)ccc3-n3cnnn3)[nH]2)cc1.COC(=O)Nc1ccc(-c2cnc([C@@H]3[C@H](C4CC4)C[C@H](C4CCNCC4)CN3C(=O)/C=C/c3cc(Cl)ccc3-n3cnnn3)[nH]2)cc1.COC(=O)Nc1ccc(C(=O)COC(=O)C2C(C3CC3)CC(C3CCCCC3)CN2C(=O)OCc2ccccc2)cc1.COC(=O)Nc1ccc(C2=CN=C(C3C(C4CC4)CC(C4CCCCC4)CN3C(=O)OCc3ccccc3)C2)cc1.COC(=O)Nc1ccc(C2=CN=C(C3C(C4CC4)CC(C4CCCCC4)CN3C(=O)OCc3ccccc3)C2)cc1.COC(=O)c1ncc(C2=CCCCC2)cc1C1CC1.COC(=O)c1ncc(Cl)cc1Br.COC(=O)c1ncc(Cl)cc1C1CC1.Cl.O=C(O)/C=C/c1cc(Cl)ccc1-n1cnnn1.O=C(O)C1C(C2CC2)CC(C2CCCCC2)CN1C(=O)OCc1ccccc1
InChIInChI=1S/2C39H46ClN9O5.C34H38ClN9O3.2C34H41N3O4.C33H40N2O7.C24H33NO4.C23H31NO4.C16H27NO2.C16H19NO2.C12H21BO2.C10H7ClN4O2.C10H10ClNO2.C7H5BrClNO2.ClH/c2*1-39(2,3)54-38(52)47-17-15-24(16-18-47)28-20-31(25-5-6-25)35(36-41-21-32(44-36)26-7-11-30(12-8-26)43-37(51)53-4)48(22-28)34(50)14-9-27-19-29(40)10-13-33(27)49-23-42-45-46-49;1-47-34(46)39-27-8-4-23(5-9-27)29-18-37-33(40-29)32-28(22-2-3-22)17-25(21-12-14-36-15-13-21)19-43(32)31(45)11-6-24-16-26(35)7-10-30(24)44-20-38-41-42-44;2*1-40-33(38)36-29-16-14-25(15-17-29)27-19-31(35-20-27)32-30(26-12-13-26)18-28(24-10-6-3-7-11-24)21-37(32)34(39)41-22-23-8-4-2-5-9-23;1-40-32(38)34-27-16-14-25(15-17-27)29(36)21-41-31(37)30-28(24-12-13-24)18-26(23-10-6-3-7-11-23)19-35(30)33(39)42-20-22-8-4-2-5-9-22;1-28-23(26)22-21(19-12-13-19)14-20(18-10-6-3-7-11-18)15-25(22)24(27)29-16-17-8-4-2-5-9-17;25-22(26)21-20(18-11-12-18)13-19(17-9-5-2-6-10-17)14-24(21)23(27)28-15-16-7-3-1-4-8-16;2*1-19-16(18)15-14(12-7-8-12)9-13(10-17-15)11-5-3-2-4-6-11;1-11(2)12(3,4)15-13(14-11)10-8-6-5-7-9-10;11-8-2-3-9(15-6-12-13-14-15)7(5-8)1-4-10(16)17;1-14-10(13)9-8(6-2-3-6)4-7(11)5-12-9;1-12-7(11)6-5(8)2-4(9)3-10-6;/h2*7-14,19,21,23-25,28,31,35H,5-6,15-18,20,22H2,1-4H3,(H,41,44)(H,43,51);4-11,16,18,20-22,25,28,32,36H,2-3,12-15,17,19H2,1H3,(H,37,40)(H,39,46);2*2,4-5,8-9,14-17,20,24,26,28,30,32H,3,6-7,10-13,18-19,21-22H2,1H3,(H,36,38);2,4-5,8-9,14-17,23-24,26,28,30H,3,6-7,10-13,18-21H2,1H3,(H,34,38);2,4-5,8-9,18-22H,3,6-7,10-16H2,1H3;1,3-4,7-8,17-21H,2,5-6,9-15H2,(H,25,26);11-15,17H,2-10H2,1H3;5,9-10,12H,2-4,6-8H2,1H3;8H,5-7,9H2,1-4H3;1-6H,(H,16,17);4-6H,2-3H2,1H3;2-3H,1H3;1H/b2*14-9+;11-6+;;;;;;;;;4-1+;;;/t28-,31-,35-;;25-,28-,32-;;;;;;;;;;;;/m0.0............/s1
InChIKeyLTINZHQRDAJKNW-XDKBMZGESA-N
MW6122.04 g/mol
LogP67.01
Rot. Bonds70

About bis(benzyl 5-cyclohexyl-3-cyclopropyl-2-[4-[4-(methoxycarbonylamino)phenyl]-3H-pyrrol-2-yl]piperidine-1-carboxylate);1-O-benzyl 2-O-[2-[4-(methoxycarbonylamino)phenyl]-2-oxoethyl] 5-cyclohexyl-3-cyclopropylpiperidine-1,2-dicarboxylate;1-O-benzyl 2-O-methyl 5-cyclohexyl-3-cyclopropylpiperidine-1,2-dicarboxylate;tert-butyl 4-[1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-5-cyclopropyl-6-[5-[4-(methoxycarbonylamino)phenyl]-1H-imidazol-2-yl]piperidin-3-yl]piperidine-1-carboxylate;tert-butyl 4-[(3R,5S,6S)-1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-5-cyclopropyl-6-[5-[4-(methoxycarbonylamino)phenyl]-1H-imidazol-2-yl]piperidin-3-yl]piperidine-1-carboxylate;(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoic acid;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;5-cyclohexyl-3-cyclopropyl-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid;methyl 3-bromo-5-chloropyridine-2-carboxylate;methyl 5-chloro-3-cyclopropylpyridine-2-carboxylate;methyl N-[4-[2-[(2S,3S,5R)-1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-3-cyclopropyl-5-piperidin-4-ylpiperidin-2-yl]-1H-imidazol-5-yl]phenyl]carbamate;methyl 5-(cyclohexen-1-yl)-3-cyclopropylpyridine-2-carboxylate;methyl 5-cyclohexyl-3-cyclopropylpiperidine-2-carboxylate;hydrochloride

bis(benzyl 5-cyclohexyl-3-cyclopropyl-2-[4-[4-(methoxycarbonylamino)phenyl]-3H-pyrrol-2-yl]piperidine-1-carboxylate);1-O-benzyl 2-O-[2-[4-(methoxycarbonylamino)phenyl]-2-oxoethyl] 5-cyclohexyl-3-cyclopropylpiperidine-1,2-dicarboxylate;1-O-benzyl 2-O-methyl 5-cyclohexyl-3-cyclopropylpiperidine-1,2-dicarboxylate;tert-butyl 4-[1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-5-cyclopropyl-6-[5-[4-(methoxycarbonylamino)phenyl]-1H-imidazol-2-yl]piperidin-3-yl]piperidine-1-carboxylate;tert-butyl 4-[(3R,5S,6S)-1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-5-cyclopropyl-6-[5-[4-(methoxycarbonylamino)phenyl]-1H-imidazol-2-yl]piperidin-3-yl]piperidine-1-carboxylate;(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoic acid;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;5-cyclohexyl-3-cyclopropyl-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid;methyl 3-bromo-5-chloropyridine-2-carboxylate;methyl 5-chloro-3-cyclopropylpyridine-2-carboxylate;methyl N-[4-[2-[(2S,3S,5R)-1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-3-cyclopropyl-5-piperidin-4-ylpiperidin-2-yl]-1H-imidazol-5-yl]phenyl]carbamate;methyl 5-(cyclohexen-1-yl)-3-cyclopropylpyridine-2-carboxylate;methyl 5-cyclohexyl-3-cyclopropylpiperidine-2-carboxylate;hydrochloride (PubChem CID 158704726) has the molecular formula C331H406BBrCl7N45O48 and a molecular weight of 6122.04 g/mol. Its IUPAC name is bis(benzyl 5-cyclohexyl-3-cyclopropyl-2-[4-[4-(methoxycarbonylamino)phenyl]-3H-pyrrol-2-yl]piperidine-1-carboxylate);1-O-benzyl 2-O-[2-[4-(methoxycarbonylamino)phenyl]-2-oxoethyl] 5-cyclohexyl-3-cyclopropylpiperidine-1,2-dicarboxylate;1-O-benzyl 2-O-methyl 5-cyclohexyl-3-cyclopropylpiperidine-1,2-dicarboxylate;tert-butyl 4-[1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-5-cyclopropyl-6-[5-[4-(methoxycarbonylamino)phenyl]-1H-imidazol-2-yl]piperidin-3-yl]piperidine-1-carboxylate;tert-butyl 4-[(3R,5S,6S)-1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-5-cyclopropyl-6-[5-[4-(methoxycarbonylamino)phenyl]-1H-imidazol-2-yl]piperidin-3-yl]piperidine-1-carboxylate;(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoic acid;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;5-cyclohexyl-3-cyclopropyl-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid;methyl 3-bromo-5-chloropyridine-2-carboxylate;methyl 5-chloro-3-cyclopropylpyridine-2-carboxylate;methyl N-[4-[2-[(2S,3S,5R)-1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-3-cyclopropyl-5-piperidin-4-ylpiperidin-2-yl]-1H-imidazol-5-yl]phenyl]carbamate;methyl 5-(cyclohexen-1-yl)-3-cyclopropylpyridine-2-carboxylate;methyl 5-cyclohexyl-3-cyclopropylpiperidine-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namebis(benzyl 5-cyclohexyl-3-cyclopropyl-2-[4-[4-(methoxycarbonylamino)phenyl]-3H-pyrrol-2-yl]piperidine-1-carboxylate);1-O-benzyl 2-O-[2-[4-(methoxycarbonylamino)phenyl]-2-oxoethyl] 5-cyclohexyl-3-cyclopropylpiperidine-1,2-dicarboxylate;1-O-benzyl 2-O-methyl 5-cyclohexyl-3-cyclopropylpiperidine-1,2-dicarboxylate;tert-butyl 4-[1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-5-cyclopropyl-6-[5-[4-(methoxycarbonylamino)phenyl]-1H-imidazol-2-yl]piperidin-3-yl]piperidine-1-carboxylate;tert-butyl 4-[(3R,5S,6S)-1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-5-cyclopropyl-6-[5-[4-(methoxycarbonylamino)phenyl]-1H-imidazol-2-yl]piperidin-3-yl]piperidine-1-carboxylate;(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoic acid;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;5-cyclohexyl-3-cyclopropyl-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid;methyl 3-bromo-5-chloropyridine-2-carboxylate;methyl 5-chloro-3-cyclopropylpyridine-2-carboxylate;methyl N-[4-[2-[(2S,3S,5R)-1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-3-cyclopropyl-5-piperidin-4-ylpiperidin-2-yl]-1H-imidazol-5-yl]phenyl]carbamate;methyl 5-(cyclohexen-1-yl)-3-cyclopropylpyridine-2-carboxylate;methyl 5-cyclohexyl-3-cyclopropylpiperidine-2-carboxylate;hydrochloride
PubChem CID158704726
Molecular FormulaC331H406BBrCl7N45O48
Molecular Weight6122.04 g/mol
Exact Mass6113.78
IUPAC Namebis(benzyl 5-cyclohexyl-3-cyclopropyl-2-[4-[4-(methoxycarbonylamino)phenyl]-3H-pyrrol-2-yl]piperidine-1-carboxylate);1-O-benzyl 2-O-[2-[4-(methoxycarbonylamino)phenyl]-2-oxoethyl] 5-cyclohexyl-3-cyclopropylpiperidine-1,2-dicarboxylate;1-O-benzyl 2-O-methyl 5-cyclohexyl-3-cyclopropylpiperidine-1,2-dicarboxylate;tert-butyl 4-[1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-5-cyclopropyl-6-[5-[4-(methoxycarbonylamino)phenyl]-1H-imidazol-2-yl]piperidin-3-yl]piperidine-1-carboxylate;tert-butyl 4-[(3R,5S,6S)-1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-5-cyclopropyl-6-[5-[4-(methoxycarbonylamino)phenyl]-1H-imidazol-2-yl]piperidin-3-yl]piperidine-1-carboxylate;(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoic acid;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;5-cyclohexyl-3-cyclopropyl-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid;methyl 3-bromo-5-chloropyridine-2-carboxylate;methyl 5-chloro-3-cyclopropylpyridine-2-carboxylate;methyl N-[4-[2-[(2S,3S,5R)-1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-3-cyclopropyl-5-piperidin-4-ylpiperidin-2-yl]-1H-imidazol-5-yl]phenyl]carbamate;methyl 5-(cyclohexen-1-yl)-3-cyclopropylpyridine-2-carboxylate;methyl 5-cyclohexyl-3-cyclopropylpiperidine-2-carboxylate;hydrochloride
SMILESCC1(C)OB(C2=CCCCC2)OC1(C)C.COC(=O)C1C(C2CC2)CC(C2CCCCC2)CN1C(=O)OCc1ccccc1.COC(=O)C1NCC(C2CCCCC2)CC1C1CC1.COC(=O)Nc1ccc(-c2cnc(C3C(C4CC4)CC(C4CCN(C(=O)OC(C)(C)C)CC4)CN3C(=O)/C=C/c3cc(Cl)ccc3-n3cnnn3)[nH]2)cc1.COC(=O)Nc1ccc(-c2cnc([C@@H]3[C@H](C4CC4)C[C@H](C4CCN(C(=O)OC(C)(C)C)CC4)CN3C(=O)/C=C/c3cc(Cl)ccc3-n3cnnn3)[nH]2)cc1.COC(=O)Nc1ccc(-c2cnc([C@@H]3[C@H](C4CC4)C[C@H](C4CCNCC4)CN3C(=O)/C=C/c3cc(Cl)ccc3-n3cnnn3)[nH]2)cc1.COC(=O)Nc1ccc(C(=O)COC(=O)C2C(C3CC3)CC(C3CCCCC3)CN2C(=O)OCc2ccccc2)cc1.COC(=O)Nc1ccc(C2=CN=C(C3C(C4CC4)CC(C4CCCCC4)CN3C(=O)OCc3ccccc3)C2)cc1.COC(=O)Nc1ccc(C2=CN=C(C3C(C4CC4)CC(C4CCCCC4)CN3C(=O)OCc3ccccc3)C2)cc1.COC(=O)c1ncc(C2=CCCCC2)cc1C1CC1.COC(=O)c1ncc(Cl)cc1Br.COC(=O)c1ncc(Cl)cc1C1CC1.Cl.O=C(O)/C=C/c1cc(Cl)ccc1-n1cnnn1.O=C(O)C1C(C2CC2)CC(C2CCCCC2)CN1C(=O)OCc1ccccc1
InChIInChI=1S/2C39H46ClN9O5.C34H38ClN9O3.2C34H41N3O4.C33H40N2O7.C24H33NO4.C23H31NO4.C16H27NO2.C16H19NO2.C12H21BO2.C10H7ClN4O2.C10H10ClNO2.C7H5BrClNO2.ClH/c2*1-39(2,3)54-38(52)47-17-15-24(16-18-47)28-20-31(25-5-6-25)35(36-41-21-32(44-36)26-7-11-30(12-8-26)43-37(51)53-4)48(22-28)34(50)14-9-27-19-29(40)10-13-33(27)49-23-42-45-46-49;1-47-34(46)39-27-8-4-23(5-9-27)29-18-37-33(40-29)32-28(22-2-3-22)17-25(21-12-14-36-15-13-21)19-43(32)31(45)11-6-24-16-26(35)7-10-30(24)44-20-38-41-42-44;2*1-40-33(38)36-29-16-14-25(15-17-29)27-19-31(35-20-27)32-30(26-12-13-26)18-28(24-10-6-3-7-11-24)21-37(32)34(39)41-22-23-8-4-2-5-9-23;1-40-32(38)34-27-16-14-25(15-17-27)29(36)21-41-31(37)30-28(24-12-13-24)18-26(23-10-6-3-7-11-23)19-35(30)33(39)42-20-22-8-4-2-5-9-22;1-28-23(26)22-21(19-12-13-19)14-20(18-10-6-3-7-11-18)15-25(22)24(27)29-16-17-8-4-2-5-9-17;25-22(26)21-20(18-11-12-18)13-19(17-9-5-2-6-10-17)14-24(21)23(27)28-15-16-7-3-1-4-8-16;2*1-19-16(18)15-14(12-7-8-12)9-13(10-17-15)11-5-3-2-4-6-11;1-11(2)12(3,4)15-13(14-11)10-8-6-5-7-9-10;11-8-2-3-9(15-6-12-13-14-15)7(5-8)1-4-10(16)17;1-14-10(13)9-8(6-2-3-6)4-7(11)5-12-9;1-12-7(11)6-5(8)2-4(9)3-10-6;/h2*7-14,19,21,23-25,28,31,35H,5-6,15-18,20,22H2,1-4H3,(H,41,44)(H,43,51);4-11,16,18,20-22,25,28,32,36H,2-3,12-15,17,19H2,1H3,(H,37,40)(H,39,46);2*2,4-5,8-9,14-17,20,24,26,28,30,32H,3,6-7,10-13,18-19,21-22H2,1H3,(H,36,38);2,4-5,8-9,14-17,23-24,26,28,30H,3,6-7,10-13,18-21H2,1H3,(H,34,38);2,4-5,8-9,18-22H,3,6-7,10-16H2,1H3;1,3-4,7-8,17-21H,2,5-6,9-15H2,(H,25,26);11-15,17H,2-10H2,1H3;5,9-10,12H,2-4,6-8H2,1H3;8H,5-7,9H2,1-4H3;1-6H,(H,16,17);4-6H,2-3H2,1H3;2-3H,1H3;1H/b2*14-9+;11-6+;;;;;;;;;4-1+;;;/t28-,31-,35-;;25-,28-,32-;;;;;;;;;;;;/m0.0............/s1
InChIKeyLTINZHQRDAJKNW-XDKBMZGESA-N
XLogP67.01
TPSA1113.51 Ų
H-Bond Donors13
H-Bond Acceptors72
Rotatable Bonds70
Heavy Atoms433
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5006122.04
LogP ≤ 567.01
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1072

Analyze bis(benzyl 5-cyclohexyl-3-cyclopropyl-2-[4-[4-(methoxycarbonylamino)phenyl]-3H-pyrrol-2-yl]piperidine-1-carboxylate);1-O-benzyl 2-O-[2-[4-(methoxycarbonylamino)phenyl]-2-oxoethyl] 5-cyclohexyl-3-cyclopropylpiperidine-1,2-dicarboxylate;1-O-benzyl 2-O-methyl 5-cyclohexyl-3-cyclopropylpiperidine-1,2-dicarboxylate;tert-butyl 4-[1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-5-cyclopropyl-6-[5-[4-(methoxycarbonylamino)phenyl]-1H-imidazol-2-yl]piperidin-3-yl]piperidine-1-carboxylate;tert-butyl 4-[(3R,5S,6S)-1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-5-cyclopropyl-6-[5-[4-(methoxycarbonylamino)phenyl]-1H-imidazol-2-yl]piperidin-3-yl]piperidine-1-carboxylate;(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoic acid;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;5-cyclohexyl-3-cyclopropyl-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid;methyl 3-bromo-5-chloropyridine-2-carboxylate;methyl 5-chloro-3-cyclopropylpyridine-2-carboxylate;methyl N-[4-[2-[(2S,3S,5R)-1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-3-cyclopropyl-5-piperidin-4-ylpiperidin-2-yl]-1H-imidazol-5-yl]phenyl]carbamate;methyl 5-(cyclohexen-1-yl)-3-cyclopropylpyridine-2-carboxylate;methyl 5-cyclohexyl-3-cyclopropylpiperidine-2-carboxylate;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(benzyl 5-cyclohexyl-3-cyclopropyl-2-[4-[4-(methoxycarbonylamino)phenyl]-3H-pyrrol-2-yl]piperidine-1-carboxylate);1-O-benzyl 2-O-[2-[4-(methoxycarbonylamino)phenyl]-2-oxoethyl] 5-cyclohexyl-3-cyclopropylpiperidine-1,2-dicarboxylate;1-O-benzyl 2-O-methyl 5-cyclohexyl-3-cyclopropylpiperidine-1,2-dicarboxylate;tert-butyl 4-[1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-5-cyclopropyl-6-[5-[4-(methoxycarbonylamino)phenyl]-1H-imidazol-2-yl]piperidin-3-yl]piperidine-1-carboxylate;tert-butyl 4-[(3R,5S,6S)-1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-5-cyclopropyl-6-[5-[4-(methoxycarbonylamino)phenyl]-1H-imidazol-2-yl]piperidin-3-yl]piperidine-1-carboxylate;(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoic acid;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;5-cyclohexyl-3-cyclopropyl-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid;methyl 3-bromo-5-chloropyridine-2-carboxylate;methyl 5-chloro-3-cyclopropylpyridine-2-carboxylate;methyl N-[4-[2-[(2S,3S,5R)-1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-3-cyclopropyl-5-piperidin-4-ylpiperidin-2-yl]-1H-imidazol-5-yl]phenyl]carbamate;methyl 5-(cyclohexen-1-yl)-3-cyclopropylpyridine-2-carboxylate;methyl 5-cyclohexyl-3-cyclopropylpiperidine-2-carboxylate;hydrochloride?
The IUPAC name of bis(benzyl 5-cyclohexyl-3-cyclopropyl-2-[4-[4-(methoxycarbonylamino)phenyl]-3H-pyrrol-2-yl]piperidine-1-carboxylate);1-O-benzyl 2-O-[2-[4-(methoxycarbonylamino)phenyl]-2-oxoethyl] 5-cyclohexyl-3-cyclopropylpiperidine-1,2-dicarboxylate;1-O-benzyl 2-O-methyl 5-cyclohexyl-3-cyclopropylpiperidine-1,2-dicarboxylate;tert-butyl 4-[1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-5-cyclopropyl-6-[5-[4-(methoxycarbonylamino)phenyl]-1H-imidazol-2-yl]piperidin-3-yl]piperidine-1-carboxylate;tert-butyl 4-[(3R,5S,6S)-1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-5-cyclopropyl-6-[5-[4-(methoxycarbonylamino)phenyl]-1H-imidazol-2-yl]piperidin-3-yl]piperidine-1-carboxylate;(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoic acid;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;5-cyclohexyl-3-cyclopropyl-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid;methyl 3-bromo-5-chloropyridine-2-carboxylate;methyl 5-chloro-3-cyclopropylpyridine-2-carboxylate;methyl N-[4-[2-[(2S,3S,5R)-1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-3-cyclopropyl-5-piperidin-4-ylpiperidin-2-yl]-1H-imidazol-5-yl]phenyl]carbamate;methyl 5-(cyclohexen-1-yl)-3-cyclopropylpyridine-2-carboxylate;methyl 5-cyclohexyl-3-cyclopropylpiperidine-2-carboxylate;hydrochloride (CID 158704726) is bis(benzyl 5-cyclohexyl-3-cyclopropyl-2-[4-[4-(methoxycarbonylamino)phenyl]-3H-pyrrol-2-yl]piperidine-1-carboxylate);1-O-benzyl 2-O-[2-[4-(methoxycarbonylamino)phenyl]-2-oxoethyl] 5-cyclohexyl-3-cyclopropylpiperidine-1,2-dicarboxylate;1-O-benzyl 2-O-methyl 5-cyclohexyl-3-cyclopropylpiperidine-1,2-dicarboxylate;tert-butyl 4-[1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-5-cyclopropyl-6-[5-[4-(methoxycarbonylamino)phenyl]-1H-imidazol-2-yl]piperidin-3-yl]piperidine-1-carboxylate;tert-butyl 4-[(3R,5S,6S)-1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-5-cyclopropyl-6-[5-[4-(methoxycarbonylamino)phenyl]-1H-imidazol-2-yl]piperidin-3-yl]piperidine-1-carboxylate;(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoic acid;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;5-cyclohexyl-3-cyclopropyl-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid;methyl 3-bromo-5-chloropyridine-2-carboxylate;methyl 5-chloro-3-cyclopropylpyridine-2-carboxylate;methyl N-[4-[2-[(2S,3S,5R)-1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-3-cyclopropyl-5-piperidin-4-ylpiperidin-2-yl]-1H-imidazol-5-yl]phenyl]carbamate;methyl 5-(cyclohexen-1-yl)-3-cyclopropylpyridine-2-carboxylate;methyl 5-cyclohexyl-3-cyclopropylpiperidine-2-carboxylate;hydrochloride.
What is the SMILES notation for bis(benzyl 5-cyclohexyl-3-cyclopropyl-2-[4-[4-(methoxycarbonylamino)phenyl]-3H-pyrrol-2-yl]piperidine-1-carboxylate);1-O-benzyl 2-O-[2-[4-(methoxycarbonylamino)phenyl]-2-oxoethyl] 5-cyclohexyl-3-cyclopropylpiperidine-1,2-dicarboxylate;1-O-benzyl 2-O-methyl 5-cyclohexyl-3-cyclopropylpiperidine-1,2-dicarboxylate;tert-butyl 4-[1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-5-cyclopropyl-6-[5-[4-(methoxycarbonylamino)phenyl]-1H-imidazol-2-yl]piperidin-3-yl]piperidine-1-carboxylate;tert-butyl 4-[(3R,5S,6S)-1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-5-cyclopropyl-6-[5-[4-(methoxycarbonylamino)phenyl]-1H-imidazol-2-yl]piperidin-3-yl]piperidine-1-carboxylate;(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoic acid;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;5-cyclohexyl-3-cyclopropyl-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid;methyl 3-bromo-5-chloropyridine-2-carboxylate;methyl 5-chloro-3-cyclopropylpyridine-2-carboxylate;methyl N-[4-[2-[(2S,3S,5R)-1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-3-cyclopropyl-5-piperidin-4-ylpiperidin-2-yl]-1H-imidazol-5-yl]phenyl]carbamate;methyl 5-(cyclohexen-1-yl)-3-cyclopropylpyridine-2-carboxylate;methyl 5-cyclohexyl-3-cyclopropylpiperidine-2-carboxylate;hydrochloride?
The canonical SMILES for bis(benzyl 5-cyclohexyl-3-cyclopropyl-2-[4-[4-(methoxycarbonylamino)phenyl]-3H-pyrrol-2-yl]piperidine-1-carboxylate);1-O-benzyl 2-O-[2-[4-(methoxycarbonylamino)phenyl]-2-oxoethyl] 5-cyclohexyl-3-cyclopropylpiperidine-1,2-dicarboxylate;1-O-benzyl 2-O-methyl 5-cyclohexyl-3-cyclopropylpiperidine-1,2-dicarboxylate;tert-butyl 4-[1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-5-cyclopropyl-6-[5-[4-(methoxycarbonylamino)phenyl]-1H-imidazol-2-yl]piperidin-3-yl]piperidine-1-carboxylate;tert-butyl 4-[(3R,5S,6S)-1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-5-cyclopropyl-6-[5-[4-(methoxycarbonylamino)phenyl]-1H-imidazol-2-yl]piperidin-3-yl]piperidine-1-carboxylate;(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoic acid;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;5-cyclohexyl-3-cyclopropyl-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid;methyl 3-bromo-5-chloropyridine-2-carboxylate;methyl 5-chloro-3-cyclopropylpyridine-2-carboxylate;methyl N-[4-[2-[(2S,3S,5R)-1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-3-cyclopropyl-5-piperidin-4-ylpiperidin-2-yl]-1H-imidazol-5-yl]phenyl]carbamate;methyl 5-(cyclohexen-1-yl)-3-cyclopropylpyridine-2-carboxylate;methyl 5-cyclohexyl-3-cyclopropylpiperidine-2-carboxylate;hydrochloride is CC1(C)OB(C2=CCCCC2)OC1(C)C.COC(=O)C1C(C2CC2)CC(C2CCCCC2)CN1C(=O)OCc1ccccc1.COC(=O)C1NCC(C2CCCCC2)CC1C1CC1.COC(=O)Nc1ccc(-c2cnc(C3C(C4CC4)CC(C4CCN(C(=O)OC(C)(C)C)CC4)CN3C(=O)/C=C/c3cc(Cl)ccc3-n3cnnn3)[nH]2)cc1.COC(=O)Nc1ccc(-c2cnc([C@@H]3[C@H](C4CC4)C[C@H](C4CCN(C(=O)OC(C)(C)C)CC4)CN3C(=O)/C=C/c3cc(Cl)ccc3-n3cnnn3)[nH]2)cc1.COC(=O)Nc1ccc(-c2cnc([C@@H]3[C@H](C4CC4)C[C@H](C4CCNCC4)CN3C(=O)/C=C/c3cc(Cl)ccc3-n3cnnn3)[nH]2)cc1.COC(=O)Nc1ccc(C(=O)COC(=O)C2C(C3CC3)CC(C3CCCCC3)CN2C(=O)OCc2ccccc2)cc1.COC(=O)Nc1ccc(C2=CN=C(C3C(C4CC4)CC(C4CCCCC4)CN3C(=O)OCc3ccccc3)C2)cc1.COC(=O)Nc1ccc(C2=CN=C(C3C(C4CC4)CC(C4CCCCC4)CN3C(=O)OCc3ccccc3)C2)cc1.COC(=O)c1ncc(C2=CCCCC2)cc1C1CC1.COC(=O)c1ncc(Cl)cc1Br.COC(=O)c1ncc(Cl)cc1C1CC1.Cl.O=C(O)/C=C/c1cc(Cl)ccc1-n1cnnn1.O=C(O)C1C(C2CC2)CC(C2CCCCC2)CN1C(=O)OCc1ccccc1.
What is the InChIKey of bis(benzyl 5-cyclohexyl-3-cyclopropyl-2-[4-[4-(methoxycarbonylamino)phenyl]-3H-pyrrol-2-yl]piperidine-1-carboxylate);1-O-benzyl 2-O-[2-[4-(methoxycarbonylamino)phenyl]-2-oxoethyl] 5-cyclohexyl-3-cyclopropylpiperidine-1,2-dicarboxylate;1-O-benzyl 2-O-methyl 5-cyclohexyl-3-cyclopropylpiperidine-1,2-dicarboxylate;tert-butyl 4-[1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-5-cyclopropyl-6-[5-[4-(methoxycarbonylamino)phenyl]-1H-imidazol-2-yl]piperidin-3-yl]piperidine-1-carboxylate;tert-butyl 4-[(3R,5S,6S)-1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-5-cyclopropyl-6-[5-[4-(methoxycarbonylamino)phenyl]-1H-imidazol-2-yl]piperidin-3-yl]piperidine-1-carboxylate;(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoic acid;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;5-cyclohexyl-3-cyclopropyl-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid;methyl 3-bromo-5-chloropyridine-2-carboxylate;methyl 5-chloro-3-cyclopropylpyridine-2-carboxylate;methyl N-[4-[2-[(2S,3S,5R)-1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-3-cyclopropyl-5-piperidin-4-ylpiperidin-2-yl]-1H-imidazol-5-yl]phenyl]carbamate;methyl 5-(cyclohexen-1-yl)-3-cyclopropylpyridine-2-carboxylate;methyl 5-cyclohexyl-3-cyclopropylpiperidine-2-carboxylate;hydrochloride?
The InChIKey is LTINZHQRDAJKNW-XDKBMZGESA-N. The full InChI is InChI=1S/2C39H46ClN9O5.C34H38ClN9O3.2C34H41N3O4.C33H40N2O7.C24H33NO4.C23H31NO4.C16H27NO2.C16H19NO2.C12H21BO2.C10H7ClN4O2.C10H10ClNO2.C7H5BrClNO2.ClH/c2*1-39(2,3)54-38(52)47-17-15-24(16-18-47)28-20-31(25-5-6-25)35(36-41-21-32(44-36)26-7-11-30(12-8-26)43-37(51)53-4)48(22-28)34(50)14-9-27-19-29(40)10-13-33(27)49-23-42-45-46-49;1-47-34(46)39-27-8-4-23(5-9-27)29-18-37-33(40-29)32-28(22-2-3-22)17-25(21-12-14-36-15-13-21)19-43(32)31(45)11-6-24-16-26(35)7-10-30(24)44-20-38-41-42-44;2*1-40-33(38)36-29-16-14-25(15-17-29)27-19-31(35-20-27)32-30(26-12-13-26)18-28(24-10-6-3-7-11-24)21-37(32)34(39)41-22-23-8-4-2-5-9-23;1-40-32(38)34-27-16-14-25(15-17-27)29(36)21-41-31(37)30-28(24-12-13-24)18-26(23-10-6-3-7-11-23)19-35(30)33(39)42-20-22-8-4-2-5-9-22;1-28-23(26)22-21(19-12-13-19)14-20(18-10-6-3-7-11-18)15-25(22)24(27)29-16-17-8-4-2-5-9-17;25-22(26)21-20(18-11-12-18)13-19(17-9-5-2-6-10-17)14-24(21)23(27)28-15-16-7-3-1-4-8-16;2*1-19-16(18)15-14(12-7-8-12)9-13(10-17-15)11-5-3-2-4-6-11;1-11(2)12(3,4)15-13(14-11)10-8-6-5-7-9-10;11-8-2-3-9(15-6-12-13-14-15)7(5-8)1-4-10(16)17;1-14-10(13)9-8(6-2-3-6)4-7(11)5-12-9;1-12-7(11)6-5(8)2-4(9)3-10-6;/h2*7-14,19,21,23-25,28,31,35H,5-6,15-18,20,22H2,1-4H3,(H,41,44)(H,43,51);4-11,16,18,20-22,25,28,32,36H,2-3,12-15,17,19H2,1H3,(H,37,40)(H,39,46);2*2,4-5,8-9,14-17,20,24,26,28,30,32H,3,6-7,10-13,18-19,21-22H2,1H3,(H,36,38);2,4-5,8-9,14-17,23-24,26,28,30H,3,6-7,10-13,18-21H2,1H3,(H,34,38);2,4-5,8-9,18-22H,3,6-7,10-16H2,1H3;1,3-4,7-8,17-21H,2,5-6,9-15H2,(H,25,26);11-15,17H,2-10H2,1H3;5,9-10,12H,2-4,6-8H2,1H3;8H,5-7,9H2,1-4H3;1-6H,(H,16,17);4-6H,2-3H2,1H3;2-3H,1H3;1H/b2*14-9+;11-6+;;;;;;;;;4-1+;;;/t28-,31-,35-;;25-,28-,32-;;;;;;;;;;;;/m0.0............/s1.
What are the key properties of bis(benzyl 5-cyclohexyl-3-cyclopropyl-2-[4-[4-(methoxycarbonylamino)phenyl]-3H-pyrrol-2-yl]piperidine-1-carboxylate);1-O-benzyl 2-O-[2-[4-(methoxycarbonylamino)phenyl]-2-oxoethyl] 5-cyclohexyl-3-cyclopropylpiperidine-1,2-dicarboxylate;1-O-benzyl 2-O-methyl 5-cyclohexyl-3-cyclopropylpiperidine-1,2-dicarboxylate;tert-butyl 4-[1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-5-cyclopropyl-6-[5-[4-(methoxycarbonylamino)phenyl]-1H-imidazol-2-yl]piperidin-3-yl]piperidine-1-carboxylate;tert-butyl 4-[(3R,5S,6S)-1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-5-cyclopropyl-6-[5-[4-(methoxycarbonylamino)phenyl]-1H-imidazol-2-yl]piperidin-3-yl]piperidine-1-carboxylate;(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoic acid;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;5-cyclohexyl-3-cyclopropyl-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid;methyl 3-bromo-5-chloropyridine-2-carboxylate;methyl 5-chloro-3-cyclopropylpyridine-2-carboxylate;methyl N-[4-[2-[(2S,3S,5R)-1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-3-cyclopropyl-5-piperidin-4-ylpiperidin-2-yl]-1H-imidazol-5-yl]phenyl]carbamate;methyl 5-(cyclohexen-1-yl)-3-cyclopropylpyridine-2-carboxylate;methyl 5-cyclohexyl-3-cyclopropylpiperidine-2-carboxylate;hydrochloride?
bis(benzyl 5-cyclohexyl-3-cyclopropyl-2-[4-[4-(methoxycarbonylamino)phenyl]-3H-pyrrol-2-yl]piperidine-1-carboxylate);1-O-benzyl 2-O-[2-[4-(methoxycarbonylamino)phenyl]-2-oxoethyl] 5-cyclohexyl-3-cyclopropylpiperidine-1,2-dicarboxylate;1-O-benzyl 2-O-methyl 5-cyclohexyl-3-cyclopropylpiperidine-1,2-dicarboxylate;tert-butyl 4-[1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-5-cyclopropyl-6-[5-[4-(methoxycarbonylamino)phenyl]-1H-imidazol-2-yl]piperidin-3-yl]piperidine-1-carboxylate;tert-butyl 4-[(3R,5S,6S)-1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-5-cyclopropyl-6-[5-[4-(methoxycarbonylamino)phenyl]-1H-imidazol-2-yl]piperidin-3-yl]piperidine-1-carboxylate;(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoic acid;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;5-cyclohexyl-3-cyclopropyl-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid;methyl 3-bromo-5-chloropyridine-2-carboxylate;methyl 5-chloro-3-cyclopropylpyridine-2-carboxylate;methyl N-[4-[2-[(2S,3S,5R)-1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-3-cyclopropyl-5-piperidin-4-ylpiperidin-2-yl]-1H-imidazol-5-yl]phenyl]carbamate;methyl 5-(cyclohexen-1-yl)-3-cyclopropylpyridine-2-carboxylate;methyl 5-cyclohexyl-3-cyclopropylpiperidine-2-carboxylate;hydrochloride has a molecular weight of 6122.04 g/mol, XLogP of 67.01, 70 rotatable bonds, 13 hydrogen bond donors, and 72 hydrogen bond acceptors.
Where does this data come from?
All data for bis(benzyl 5-cyclohexyl-3-cyclopropyl-2-[4-[4-(methoxycarbonylamino)phenyl]-3H-pyrrol-2-yl]piperidine-1-carboxylate);1-O-benzyl 2-O-[2-[4-(methoxycarbonylamino)phenyl]-2-oxoethyl] 5-cyclohexyl-3-cyclopropylpiperidine-1,2-dicarboxylate;1-O-benzyl 2-O-methyl 5-cyclohexyl-3-cyclopropylpiperidine-1,2-dicarboxylate;tert-butyl 4-[1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-5-cyclopropyl-6-[5-[4-(methoxycarbonylamino)phenyl]-1H-imidazol-2-yl]piperidin-3-yl]piperidine-1-carboxylate;tert-butyl 4-[(3R,5S,6S)-1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-5-cyclopropyl-6-[5-[4-(methoxycarbonylamino)phenyl]-1H-imidazol-2-yl]piperidin-3-yl]piperidine-1-carboxylate;(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoic acid;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;5-cyclohexyl-3-cyclopropyl-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid;methyl 3-bromo-5-chloropyridine-2-carboxylate;methyl 5-chloro-3-cyclopropylpyridine-2-carboxylate;methyl N-[4-[2-[(2S,3S,5R)-1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-3-cyclopropyl-5-piperidin-4-ylpiperidin-2-yl]-1H-imidazol-5-yl]phenyl]carbamate;methyl 5-(cyclohexen-1-yl)-3-cyclopropylpyridine-2-carboxylate;methyl 5-cyclohexyl-3-cyclopropylpiperidine-2-carboxylate;hydrochloride is sourced from PubChem (CID 158704726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).