4-amino-N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]piperidine-4-carboxamide;2-(bromomethyl)-1,3-dichlorobenzene;tert-butyl 4-amino-4-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propylcarbamoyl]piperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl N-[3-(3-bromo-5-methoxyindol-1-yl)propyl]carbamate;tert-butyl N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]carbamate;tert-butyl 4-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propylcarbamoyl]-4-methylpiperidine-1-carboxylate;tert-butyl 4-(9H-fluoren-9-ylmethoxycarbonylamino)piperidine-1-carboxylate;tert-butyl N-[3-(5-methoxyindol-1-yl)propyl]carbamate;tert-butyl N-[3-[5-methoxy-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]carbamate;bis(carbon dioxide);1-[(2,6-dichlorophenyl)methyl]piperazine;3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;5-methoxy-1H-indene

C307H363Br2Cl14F18N37O35 — CID 158176140

IUPAC4-amino-N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]piperidine-4-carboxamide;2-(bromomethyl)-1,3-dichlorobenzene;tert-butyl 4-amino-4-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propylcarbamoyl]piperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl N-[3-(3-bromo-5-methoxyindol-1-yl)propyl]carbamate;tert-butyl N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]carbamate;tert-butyl 4-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propylcarbamoyl]-4-methylpiperidine-1-carboxylate;tert-butyl 4-(9H-fluoren-9-ylmethoxycarbonylamino)piperidine-1-carboxylate;tert-butyl N-[3-(5-methoxyindol-1-yl)propyl]carbamate;tert-butyl N-[3-[5-methoxy-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]carbamate;bis(carbon dioxide);1-[(2,6-dichlorophenyl)methyl]piperazine;3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;5-methoxy-1H-indene
SMILESCC(C)(C)OC(=O)N1CCC(C)(C(=O)NCCCn2cc(-c3ccc(OC(F)(F)F)cc3)c3cc(CN4CCN(Cc5c(Cl)cccc5Cl)CC4)ccc32)CC1.CC(C)(C)OC(=O)N1CCC(N)(C(=O)NCCCn2cc(-c3ccc(OC(F)(F)F)cc3)c3cc(CN4CCN(Cc5c(Cl)cccc5Cl)CC4)ccc32)CC1.CC(C)(C)OC(=O)N1CCC(N)CC1.CC(C)(C)OC(=O)N1CCC(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1.CC(C)(C)OC(=O)NCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(Cc4c(Cl)cccc4Cl)CC3)ccc21.COc1ccc2c(c1)C=CC2.COc1ccc2c(c1)c(-c1ccc(OC(F)(F)F)cc1)cn2CCCNC(=O)OC(C)(C)C.COc1ccc2c(c1)c(Br)cn2CCCNC(=O)OC(C)(C)C.COc1ccc2c(ccn2CCCNC(=O)OC(C)(C)C)c1.Clc1cccc(Cl)c1CBr.Clc1cccc(Cl)c1CN1CCNCC1.NC1(C(=O)NCCCn2cc(-c3ccc(OC(F)(F)F)cc3)c3cc(CN4CCN(Cc5c(Cl)cccc5Cl)CC4)ccc32)CCNCC1.NCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(Cc4c(Cl)cccc4Cl)CC3)ccc21.O=C=O.O=C=O
InChIInChI=1S/C42H50Cl2F3N5O4.C41H49Cl2F3N6O4.C36H41Cl2F3N6O2.C35H39Cl2F3N4O3.C30H31Cl2F3N4O.C25H30N2O4.C24H27F3N2O4.C17H23BrN2O3.C17H24N2O3.C11H14Cl2N2.C10H20N2O2.C10H10O.C7H5BrCl2.2CO2/c1-40(2,3)56-39(54)51-19-15-41(4,16-20-51)38(53)48-17-6-18-52-28-33(30-10-12-31(13-11-30)55-42(45,46)47)32-25-29(9-14-37(32)52)26-49-21-23-50(24-22-49)27-34-35(43)7-5-8-36(34)44;1-39(2,3)56-38(54)51-18-14-40(47,15-19-51)37(53)48-16-5-17-52-27-32(29-9-11-30(12-10-29)55-41(44,45)46)31-24-28(8-13-36(31)52)25-49-20-22-50(23-21-49)26-33-34(42)6-4-7-35(33)43;37-31-3-1-4-32(38)30(31)23-46-19-17-45(18-20-46)22-25-5-10-33-28(21-25)29(26-6-8-27(9-7-26)49-36(39,40)41)24-47(33)16-2-13-44-34(48)35(42)11-14-43-15-12-35;1-34(2,3)47-33(45)41-14-5-15-44-23-28(25-9-11-26(12-10-25)46-35(38,39)40)27-20-24(8-13-32(27)44)21-42-16-18-43(19-17-42)22-29-30(36)6-4-7-31(29)37;31-27-3-1-4-28(32)26(27)19-38-15-13-37(14-16-38)18-21-5-10-29-24(17-21)25(20-39(29)12-2-11-36)22-6-8-23(9-7-22)40-30(33,34)35;1-25(2,3)31-24(29)27-14-12-17(13-15-27)26-23(28)30-16-22-20-10-6-4-8-18(20)19-9-5-7-11-21(19)22;1-23(2,3)33-22(30)28-12-5-13-29-15-20(19-14-18(31-4)10-11-21(19)29)16-6-8-17(9-7-16)32-24(25,26)27;1-17(2,3)23-16(21)19-8-5-9-20-11-14(18)13-10-12(22-4)6-7-15(13)20;1-17(2,3)22-16(20)18-9-5-10-19-11-8-13-12-14(21-4)6-7-15(13)19;12-10-2-1-3-11(13)9(10)8-15-6-4-14-5-7-15;1-10(2,3)14-9(13)12-6-4-8(11)5-7-12;1-11-10-6-5-8-3-2-4-9(8)7-10;8-4-5-6(9)2-1-3-7(5)10;2*2-1-3/h5,7-14,25,28H,6,15-24,26-27H2,1-4H3,(H,48,53);4,6-13,24,27H,5,14-23,25-26,47H2,1-3H3,(H,48,53);1,3-10,21,24,43H,2,11-20,22-23,42H2,(H,44,48);4,6-13,20,23H,5,14-19,21-22H2,1-3H3,(H,41,45);1,3-10,17,20H,2,11-16,18-19,36H2;4-11,17,22H,12-16H2,1-3H3,(H,26,28);6-11,14-15H,5,12-13H2,1-4H3,(H,28,30);6-7,10-11H,5,8-9H2,1-4H3,(H,19,21);6-8,11-12H,5,9-10H2,1-4H3,(H,18,20);1-3,14H,4-8H2;8H,4-7,11H2,1-3H3;2,4-7H,3H2,1H3;1-3H,4H2;;
InChIKeyFYAFEVSKZVOSKH-UHFFFAOYSA-N
MW6129.62 g/mol
LogP67.46
Rot. Bonds76

About 4-amino-N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]piperidine-4-carboxamide;2-(bromomethyl)-1,3-dichlorobenzene;tert-butyl 4-amino-4-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propylcarbamoyl]piperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl N-[3-(3-bromo-5-methoxyindol-1-yl)propyl]carbamate;tert-butyl N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]carbamate;tert-butyl 4-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propylcarbamoyl]-4-methylpiperidine-1-carboxylate;tert-butyl 4-(9H-fluoren-9-ylmethoxycarbonylamino)piperidine-1-carboxylate;tert-butyl N-[3-(5-methoxyindol-1-yl)propyl]carbamate;tert-butyl N-[3-[5-methoxy-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]carbamate;bis(carbon dioxide);1-[(2,6-dichlorophenyl)methyl]piperazine;3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;5-methoxy-1H-indene

4-amino-N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]piperidine-4-carboxamide;2-(bromomethyl)-1,3-dichlorobenzene;tert-butyl 4-amino-4-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propylcarbamoyl]piperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl N-[3-(3-bromo-5-methoxyindol-1-yl)propyl]carbamate;tert-butyl N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]carbamate;tert-butyl 4-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propylcarbamoyl]-4-methylpiperidine-1-carboxylate;tert-butyl 4-(9H-fluoren-9-ylmethoxycarbonylamino)piperidine-1-carboxylate;tert-butyl N-[3-(5-methoxyindol-1-yl)propyl]carbamate;tert-butyl N-[3-[5-methoxy-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]carbamate;bis(carbon dioxide);1-[(2,6-dichlorophenyl)methyl]piperazine;3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;5-methoxy-1H-indene (PubChem CID 158176140) has the molecular formula C307H363Br2Cl14F18N37O35 and a molecular weight of 6129.62 g/mol. Its IUPAC name is 4-amino-N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]piperidine-4-carboxamide;2-(bromomethyl)-1,3-dichlorobenzene;tert-butyl 4-amino-4-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propylcarbamoyl]piperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl N-[3-(3-bromo-5-methoxyindol-1-yl)propyl]carbamate;tert-butyl N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]carbamate;tert-butyl 4-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propylcarbamoyl]-4-methylpiperidine-1-carboxylate;tert-butyl 4-(9H-fluoren-9-ylmethoxycarbonylamino)piperidine-1-carboxylate;tert-butyl N-[3-(5-methoxyindol-1-yl)propyl]carbamate;tert-butyl N-[3-[5-methoxy-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]carbamate;bis(carbon dioxide);1-[(2,6-dichlorophenyl)methyl]piperazine;3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;5-methoxy-1H-indene.

Molecular Properties

Compound Name4-amino-N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]piperidine-4-carboxamide;2-(bromomethyl)-1,3-dichlorobenzene;tert-butyl 4-amino-4-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propylcarbamoyl]piperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl N-[3-(3-bromo-5-methoxyindol-1-yl)propyl]carbamate;tert-butyl N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]carbamate;tert-butyl 4-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propylcarbamoyl]-4-methylpiperidine-1-carboxylate;tert-butyl 4-(9H-fluoren-9-ylmethoxycarbonylamino)piperidine-1-carboxylate;tert-butyl N-[3-(5-methoxyindol-1-yl)propyl]carbamate;tert-butyl N-[3-[5-methoxy-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]carbamate;bis(carbon dioxide);1-[(2,6-dichlorophenyl)methyl]piperazine;3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;5-methoxy-1H-indene
PubChem CID158176140
Molecular FormulaC307H363Br2Cl14F18N37O35
Molecular Weight6129.62 g/mol
Exact Mass6117.15
IUPAC Name4-amino-N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]piperidine-4-carboxamide;2-(bromomethyl)-1,3-dichlorobenzene;tert-butyl 4-amino-4-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propylcarbamoyl]piperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl N-[3-(3-bromo-5-methoxyindol-1-yl)propyl]carbamate;tert-butyl N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]carbamate;tert-butyl 4-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propylcarbamoyl]-4-methylpiperidine-1-carboxylate;tert-butyl 4-(9H-fluoren-9-ylmethoxycarbonylamino)piperidine-1-carboxylate;tert-butyl N-[3-(5-methoxyindol-1-yl)propyl]carbamate;tert-butyl N-[3-[5-methoxy-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]carbamate;bis(carbon dioxide);1-[(2,6-dichlorophenyl)methyl]piperazine;3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;5-methoxy-1H-indene
SMILESCC(C)(C)OC(=O)N1CCC(C)(C(=O)NCCCn2cc(-c3ccc(OC(F)(F)F)cc3)c3cc(CN4CCN(Cc5c(Cl)cccc5Cl)CC4)ccc32)CC1.CC(C)(C)OC(=O)N1CCC(N)(C(=O)NCCCn2cc(-c3ccc(OC(F)(F)F)cc3)c3cc(CN4CCN(Cc5c(Cl)cccc5Cl)CC4)ccc32)CC1.CC(C)(C)OC(=O)N1CCC(N)CC1.CC(C)(C)OC(=O)N1CCC(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1.CC(C)(C)OC(=O)NCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(Cc4c(Cl)cccc4Cl)CC3)ccc21.COc1ccc2c(c1)C=CC2.COc1ccc2c(c1)c(-c1ccc(OC(F)(F)F)cc1)cn2CCCNC(=O)OC(C)(C)C.COc1ccc2c(c1)c(Br)cn2CCCNC(=O)OC(C)(C)C.COc1ccc2c(ccn2CCCNC(=O)OC(C)(C)C)c1.Clc1cccc(Cl)c1CBr.Clc1cccc(Cl)c1CN1CCNCC1.NC1(C(=O)NCCCn2cc(-c3ccc(OC(F)(F)F)cc3)c3cc(CN4CCN(Cc5c(Cl)cccc5Cl)CC4)ccc32)CCNCC1.NCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(Cc4c(Cl)cccc4Cl)CC3)ccc21.O=C=O.O=C=O
InChIInChI=1S/C42H50Cl2F3N5O4.C41H49Cl2F3N6O4.C36H41Cl2F3N6O2.C35H39Cl2F3N4O3.C30H31Cl2F3N4O.C25H30N2O4.C24H27F3N2O4.C17H23BrN2O3.C17H24N2O3.C11H14Cl2N2.C10H20N2O2.C10H10O.C7H5BrCl2.2CO2/c1-40(2,3)56-39(54)51-19-15-41(4,16-20-51)38(53)48-17-6-18-52-28-33(30-10-12-31(13-11-30)55-42(45,46)47)32-25-29(9-14-37(32)52)26-49-21-23-50(24-22-49)27-34-35(43)7-5-8-36(34)44;1-39(2,3)56-38(54)51-18-14-40(47,15-19-51)37(53)48-16-5-17-52-27-32(29-9-11-30(12-10-29)55-41(44,45)46)31-24-28(8-13-36(31)52)25-49-20-22-50(23-21-49)26-33-34(42)6-4-7-35(33)43;37-31-3-1-4-32(38)30(31)23-46-19-17-45(18-20-46)22-25-5-10-33-28(21-25)29(26-6-8-27(9-7-26)49-36(39,40)41)24-47(33)16-2-13-44-34(48)35(42)11-14-43-15-12-35;1-34(2,3)47-33(45)41-14-5-15-44-23-28(25-9-11-26(12-10-25)46-35(38,39)40)27-20-24(8-13-32(27)44)21-42-16-18-43(19-17-42)22-29-30(36)6-4-7-31(29)37;31-27-3-1-4-28(32)26(27)19-38-15-13-37(14-16-38)18-21-5-10-29-24(17-21)25(20-39(29)12-2-11-36)22-6-8-23(9-7-22)40-30(33,34)35;1-25(2,3)31-24(29)27-14-12-17(13-15-27)26-23(28)30-16-22-20-10-6-4-8-18(20)19-9-5-7-11-21(19)22;1-23(2,3)33-22(30)28-12-5-13-29-15-20(19-14-18(31-4)10-11-21(19)29)16-6-8-17(9-7-16)32-24(25,26)27;1-17(2,3)23-16(21)19-8-5-9-20-11-14(18)13-10-12(22-4)6-7-15(13)20;1-17(2,3)22-16(20)18-9-5-10-19-11-8-13-12-14(21-4)6-7-15(13)19;12-10-2-1-3-11(13)9(10)8-15-6-4-14-5-7-15;1-10(2,3)14-9(13)12-6-4-8(11)5-7-12;1-11-10-6-5-8-3-2-4-9(8)7-10;8-4-5-6(9)2-1-3-7(5)10;2*2-1-3/h5,7-14,25,28H,6,15-24,26-27H2,1-4H3,(H,48,53);4,6-13,24,27H,5,14-23,25-26,47H2,1-3H3,(H,48,53);1,3-10,21,24,43H,2,11-20,22-23,42H2,(H,44,48);4,6-13,20,23H,5,14-19,21-22H2,1-3H3,(H,41,45);1,3-10,17,20H,2,11-16,18-19,36H2;4-11,17,22H,12-16H2,1-3H3,(H,26,28);6-11,14-15H,5,12-13H2,1-4H3,(H,28,30);6-7,10-11H,5,8-9H2,1-4H3,(H,19,21);6-8,11-12H,5,9-10H2,1-4H3,(H,18,20);1-3,14H,4-8H2;8H,4-7,11H2,1-3H3;2,4-7H,3H2,1H3;1-3H,4H2;;
InChIKeyFYAFEVSKZVOSKH-UHFFFAOYSA-N
XLogP67.46
TPSA760.91 Ų
H-Bond Donors14
H-Bond Acceptors60
Rotatable Bonds76
Heavy Atoms413
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5006129.62
LogP ≤ 567.46
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1060

Analyze 4-amino-N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]piperidine-4-carboxamide;2-(bromomethyl)-1,3-dichlorobenzene;tert-butyl 4-amino-4-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propylcarbamoyl]piperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl N-[3-(3-bromo-5-methoxyindol-1-yl)propyl]carbamate;tert-butyl N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]carbamate;tert-butyl 4-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propylcarbamoyl]-4-methylpiperidine-1-carboxylate;tert-butyl 4-(9H-fluoren-9-ylmethoxycarbonylamino)piperidine-1-carboxylate;tert-butyl N-[3-(5-methoxyindol-1-yl)propyl]carbamate;tert-butyl N-[3-[5-methoxy-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]carbamate;bis(carbon dioxide);1-[(2,6-dichlorophenyl)methyl]piperazine;3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;5-methoxy-1H-indene with MolForge

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What is the IUPAC name of 4-amino-N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]piperidine-4-carboxamide;2-(bromomethyl)-1,3-dichlorobenzene;tert-butyl 4-amino-4-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propylcarbamoyl]piperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl N-[3-(3-bromo-5-methoxyindol-1-yl)propyl]carbamate;tert-butyl N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]carbamate;tert-butyl 4-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propylcarbamoyl]-4-methylpiperidine-1-carboxylate;tert-butyl 4-(9H-fluoren-9-ylmethoxycarbonylamino)piperidine-1-carboxylate;tert-butyl N-[3-(5-methoxyindol-1-yl)propyl]carbamate;tert-butyl N-[3-[5-methoxy-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]carbamate;bis(carbon dioxide);1-[(2,6-dichlorophenyl)methyl]piperazine;3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;5-methoxy-1H-indene?
The IUPAC name of 4-amino-N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]piperidine-4-carboxamide;2-(bromomethyl)-1,3-dichlorobenzene;tert-butyl 4-amino-4-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propylcarbamoyl]piperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl N-[3-(3-bromo-5-methoxyindol-1-yl)propyl]carbamate;tert-butyl N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]carbamate;tert-butyl 4-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propylcarbamoyl]-4-methylpiperidine-1-carboxylate;tert-butyl 4-(9H-fluoren-9-ylmethoxycarbonylamino)piperidine-1-carboxylate;tert-butyl N-[3-(5-methoxyindol-1-yl)propyl]carbamate;tert-butyl N-[3-[5-methoxy-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]carbamate;bis(carbon dioxide);1-[(2,6-dichlorophenyl)methyl]piperazine;3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;5-methoxy-1H-indene (CID 158176140) is 4-amino-N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]piperidine-4-carboxamide;2-(bromomethyl)-1,3-dichlorobenzene;tert-butyl 4-amino-4-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propylcarbamoyl]piperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl N-[3-(3-bromo-5-methoxyindol-1-yl)propyl]carbamate;tert-butyl N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]carbamate;tert-butyl 4-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propylcarbamoyl]-4-methylpiperidine-1-carboxylate;tert-butyl 4-(9H-fluoren-9-ylmethoxycarbonylamino)piperidine-1-carboxylate;tert-butyl N-[3-(5-methoxyindol-1-yl)propyl]carbamate;tert-butyl N-[3-[5-methoxy-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]carbamate;bis(carbon dioxide);1-[(2,6-dichlorophenyl)methyl]piperazine;3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;5-methoxy-1H-indene.
What is the SMILES notation for 4-amino-N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]piperidine-4-carboxamide;2-(bromomethyl)-1,3-dichlorobenzene;tert-butyl 4-amino-4-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propylcarbamoyl]piperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl N-[3-(3-bromo-5-methoxyindol-1-yl)propyl]carbamate;tert-butyl N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]carbamate;tert-butyl 4-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propylcarbamoyl]-4-methylpiperidine-1-carboxylate;tert-butyl 4-(9H-fluoren-9-ylmethoxycarbonylamino)piperidine-1-carboxylate;tert-butyl N-[3-(5-methoxyindol-1-yl)propyl]carbamate;tert-butyl N-[3-[5-methoxy-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]carbamate;bis(carbon dioxide);1-[(2,6-dichlorophenyl)methyl]piperazine;3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;5-methoxy-1H-indene?
The canonical SMILES for 4-amino-N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]piperidine-4-carboxamide;2-(bromomethyl)-1,3-dichlorobenzene;tert-butyl 4-amino-4-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propylcarbamoyl]piperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl N-[3-(3-bromo-5-methoxyindol-1-yl)propyl]carbamate;tert-butyl N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]carbamate;tert-butyl 4-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propylcarbamoyl]-4-methylpiperidine-1-carboxylate;tert-butyl 4-(9H-fluoren-9-ylmethoxycarbonylamino)piperidine-1-carboxylate;tert-butyl N-[3-(5-methoxyindol-1-yl)propyl]carbamate;tert-butyl N-[3-[5-methoxy-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]carbamate;bis(carbon dioxide);1-[(2,6-dichlorophenyl)methyl]piperazine;3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;5-methoxy-1H-indene is CC(C)(C)OC(=O)N1CCC(C)(C(=O)NCCCn2cc(-c3ccc(OC(F)(F)F)cc3)c3cc(CN4CCN(Cc5c(Cl)cccc5Cl)CC4)ccc32)CC1.CC(C)(C)OC(=O)N1CCC(N)(C(=O)NCCCn2cc(-c3ccc(OC(F)(F)F)cc3)c3cc(CN4CCN(Cc5c(Cl)cccc5Cl)CC4)ccc32)CC1.CC(C)(C)OC(=O)N1CCC(N)CC1.CC(C)(C)OC(=O)N1CCC(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1.CC(C)(C)OC(=O)NCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(Cc4c(Cl)cccc4Cl)CC3)ccc21.COc1ccc2c(c1)C=CC2.COc1ccc2c(c1)c(-c1ccc(OC(F)(F)F)cc1)cn2CCCNC(=O)OC(C)(C)C.COc1ccc2c(c1)c(Br)cn2CCCNC(=O)OC(C)(C)C.COc1ccc2c(ccn2CCCNC(=O)OC(C)(C)C)c1.Clc1cccc(Cl)c1CBr.Clc1cccc(Cl)c1CN1CCNCC1.NC1(C(=O)NCCCn2cc(-c3ccc(OC(F)(F)F)cc3)c3cc(CN4CCN(Cc5c(Cl)cccc5Cl)CC4)ccc32)CCNCC1.NCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(Cc4c(Cl)cccc4Cl)CC3)ccc21.O=C=O.O=C=O.
What is the InChIKey of 4-amino-N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]piperidine-4-carboxamide;2-(bromomethyl)-1,3-dichlorobenzene;tert-butyl 4-amino-4-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propylcarbamoyl]piperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl N-[3-(3-bromo-5-methoxyindol-1-yl)propyl]carbamate;tert-butyl N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]carbamate;tert-butyl 4-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propylcarbamoyl]-4-methylpiperidine-1-carboxylate;tert-butyl 4-(9H-fluoren-9-ylmethoxycarbonylamino)piperidine-1-carboxylate;tert-butyl N-[3-(5-methoxyindol-1-yl)propyl]carbamate;tert-butyl N-[3-[5-methoxy-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]carbamate;bis(carbon dioxide);1-[(2,6-dichlorophenyl)methyl]piperazine;3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;5-methoxy-1H-indene?
The InChIKey is FYAFEVSKZVOSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H50Cl2F3N5O4.C41H49Cl2F3N6O4.C36H41Cl2F3N6O2.C35H39Cl2F3N4O3.C30H31Cl2F3N4O.C25H30N2O4.C24H27F3N2O4.C17H23BrN2O3.C17H24N2O3.C11H14Cl2N2.C10H20N2O2.C10H10O.C7H5BrCl2.2CO2/c1-40(2,3)56-39(54)51-19-15-41(4,16-20-51)38(53)48-17-6-18-52-28-33(30-10-12-31(13-11-30)55-42(45,46)47)32-25-29(9-14-37(32)52)26-49-21-23-50(24-22-49)27-34-35(43)7-5-8-36(34)44;1-39(2,3)56-38(54)51-18-14-40(47,15-19-51)37(53)48-16-5-17-52-27-32(29-9-11-30(12-10-29)55-41(44,45)46)31-24-28(8-13-36(31)52)25-49-20-22-50(23-21-49)26-33-34(42)6-4-7-35(33)43;37-31-3-1-4-32(38)30(31)23-46-19-17-45(18-20-46)22-25-5-10-33-28(21-25)29(26-6-8-27(9-7-26)49-36(39,40)41)24-47(33)16-2-13-44-34(48)35(42)11-14-43-15-12-35;1-34(2,3)47-33(45)41-14-5-15-44-23-28(25-9-11-26(12-10-25)46-35(38,39)40)27-20-24(8-13-32(27)44)21-42-16-18-43(19-17-42)22-29-30(36)6-4-7-31(29)37;31-27-3-1-4-28(32)26(27)19-38-15-13-37(14-16-38)18-21-5-10-29-24(17-21)25(20-39(29)12-2-11-36)22-6-8-23(9-7-22)40-30(33,34)35;1-25(2,3)31-24(29)27-14-12-17(13-15-27)26-23(28)30-16-22-20-10-6-4-8-18(20)19-9-5-7-11-21(19)22;1-23(2,3)33-22(30)28-12-5-13-29-15-20(19-14-18(31-4)10-11-21(19)29)16-6-8-17(9-7-16)32-24(25,26)27;1-17(2,3)23-16(21)19-8-5-9-20-11-14(18)13-10-12(22-4)6-7-15(13)20;1-17(2,3)22-16(20)18-9-5-10-19-11-8-13-12-14(21-4)6-7-15(13)19;12-10-2-1-3-11(13)9(10)8-15-6-4-14-5-7-15;1-10(2,3)14-9(13)12-6-4-8(11)5-7-12;1-11-10-6-5-8-3-2-4-9(8)7-10;8-4-5-6(9)2-1-3-7(5)10;2*2-1-3/h5,7-14,25,28H,6,15-24,26-27H2,1-4H3,(H,48,53);4,6-13,24,27H,5,14-23,25-26,47H2,1-3H3,(H,48,53);1,3-10,21,24,43H,2,11-20,22-23,42H2,(H,44,48);4,6-13,20,23H,5,14-19,21-22H2,1-3H3,(H,41,45);1,3-10,17,20H,2,11-16,18-19,36H2;4-11,17,22H,12-16H2,1-3H3,(H,26,28);6-11,14-15H,5,12-13H2,1-4H3,(H,28,30);6-7,10-11H,5,8-9H2,1-4H3,(H,19,21);6-8,11-12H,5,9-10H2,1-4H3,(H,18,20);1-3,14H,4-8H2;8H,4-7,11H2,1-3H3;2,4-7H,3H2,1H3;1-3H,4H2;;.
What are the key properties of 4-amino-N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]piperidine-4-carboxamide;2-(bromomethyl)-1,3-dichlorobenzene;tert-butyl 4-amino-4-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propylcarbamoyl]piperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl N-[3-(3-bromo-5-methoxyindol-1-yl)propyl]carbamate;tert-butyl N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]carbamate;tert-butyl 4-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propylcarbamoyl]-4-methylpiperidine-1-carboxylate;tert-butyl 4-(9H-fluoren-9-ylmethoxycarbonylamino)piperidine-1-carboxylate;tert-butyl N-[3-(5-methoxyindol-1-yl)propyl]carbamate;tert-butyl N-[3-[5-methoxy-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]carbamate;bis(carbon dioxide);1-[(2,6-dichlorophenyl)methyl]piperazine;3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;5-methoxy-1H-indene?
4-amino-N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]piperidine-4-carboxamide;2-(bromomethyl)-1,3-dichlorobenzene;tert-butyl 4-amino-4-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propylcarbamoyl]piperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl N-[3-(3-bromo-5-methoxyindol-1-yl)propyl]carbamate;tert-butyl N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]carbamate;tert-butyl 4-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propylcarbamoyl]-4-methylpiperidine-1-carboxylate;tert-butyl 4-(9H-fluoren-9-ylmethoxycarbonylamino)piperidine-1-carboxylate;tert-butyl N-[3-(5-methoxyindol-1-yl)propyl]carbamate;tert-butyl N-[3-[5-methoxy-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]carbamate;bis(carbon dioxide);1-[(2,6-dichlorophenyl)methyl]piperazine;3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;5-methoxy-1H-indene has a molecular weight of 6129.62 g/mol, XLogP of 67.46, 76 rotatable bonds, 14 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]piperidine-4-carboxamide;2-(bromomethyl)-1,3-dichlorobenzene;tert-butyl 4-amino-4-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propylcarbamoyl]piperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl N-[3-(3-bromo-5-methoxyindol-1-yl)propyl]carbamate;tert-butyl N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]carbamate;tert-butyl 4-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propylcarbamoyl]-4-methylpiperidine-1-carboxylate;tert-butyl 4-(9H-fluoren-9-ylmethoxycarbonylamino)piperidine-1-carboxylate;tert-butyl N-[3-(5-methoxyindol-1-yl)propyl]carbamate;tert-butyl N-[3-[5-methoxy-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]carbamate;bis(carbon dioxide);1-[(2,6-dichlorophenyl)methyl]piperazine;3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;5-methoxy-1H-indene is sourced from PubChem (CID 158176140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).