C303H334Cl10F15N75O32S — CID 160965737
1-[4-[4-(2H-benzotriazole-5-carbonyl)piperazin-1-yl]piperidin-1-yl]-3-(4-chloro-2-fluorophenyl)propan-1-one;1-[4-[4-(2H-benzotriazole-5-carbonyl)piperazin-1-yl]piperidin-1-yl]-3-[4-(trifluoromethyl)phenyl]propan-1-one;1-[4-[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]piperazin-1-yl]-3-(4-chloro-2-fluorophenyl)propan-1-one;1-[4-[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]piperazin-1-yl]-3-(3,5-dichlorophenyl)propan-1-one;2H-benzotriazol-5-yl-[4-[4-[6-(trifluoromethyl)-1H-benzimidazole-2-carbonyl]piperazin-1-yl]piperidin-1-yl]methanone;(4-chloro-2-fluorophenyl)methyl 4-[4-(2H-benzotriazole-5-carbonyl)piperazin-1-yl]piperidine-1-carboxylate;(4-chlorophenyl)methyl 4-[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]piperazine-1-carboxylate;(2,4-dichlorophenyl)methyl 4-[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]piperazine-1-carboxylate;(3,4-dichlorophenyl)methyl 4-[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]piperazine-1-carboxylate;[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl 4-[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]piperazine-1-carboxylate;(4-propan-2-ylphenyl)methyl 4-[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]piperazine-1-carboxylate;[4-(trifluoromethoxy)phenyl]methyl 4-[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]piperazine-1-carboxylate (PubChem CID 160965737) has the molecular formula C303H334Cl10F15N75O32S and a molecular weight of 6210.07 g/mol. Its IUPAC name is 1-[4-[4-(2H-benzotriazole-5-carbonyl)piperazin-1-yl]piperidin-1-yl]-3-(4-chloro-2-fluorophenyl)propan-1-one;1-[4-[4-(2H-benzotriazole-5-carbonyl)piperazin-1-yl]piperidin-1-yl]-3-[4-(trifluoromethyl)phenyl]propan-1-one;1-[4-[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]piperazin-1-yl]-3-(4-chloro-2-fluorophenyl)propan-1-one;1-[4-[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]piperazin-1-yl]-3-(3,5-dichlorophenyl)propan-1-one;2H-benzotriazol-5-yl-[4-[4-[6-(trifluoromethyl)-1H-benzimidazole-2-carbonyl]piperazin-1-yl]piperidin-1-yl]methanone;(4-chloro-2-fluorophenyl)methyl 4-[4-(2H-benzotriazole-5-carbonyl)piperazin-1-yl]piperidine-1-carboxylate;(4-chlorophenyl)methyl 4-[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]piperazine-1-carboxylate;(2,4-dichlorophenyl)methyl 4-[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]piperazine-1-carboxylate;(3,4-dichlorophenyl)methyl 4-[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]piperazine-1-carboxylate;[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl 4-[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]piperazine-1-carboxylate;(4-propan-2-ylphenyl)methyl 4-[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]piperazine-1-carboxylate;[4-(trifluoromethoxy)phenyl]methyl 4-[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]piperazine-1-carboxylate.
| Compound Name | 1-[4-[4-(2H-benzotriazole-5-carbonyl)piperazin-1-yl]piperidin-1-yl]-3-(4-chloro-2-fluorophenyl)propan-1-one;1-[4-[4-(2H-benzotriazole-5-carbonyl)piperazin-1-yl]piperidin-1-yl]-3-[4-(trifluoromethyl)phenyl]propan-1-one;1-[4-[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]piperazin-1-yl]-3-(4-chloro-2-fluorophenyl)propan-1-one;1-[4-[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]piperazin-1-yl]-3-(3,5-dichlorophenyl)propan-1-one;2H-benzotriazol-5-yl-[4-[4-[6-(trifluoromethyl)-1H-benzimidazole-2-carbonyl]piperazin-1-yl]piperidin-1-yl]methanone;(4-chloro-2-fluorophenyl)methyl 4-[4-(2H-benzotriazole-5-carbonyl)piperazin-1-yl]piperidine-1-carboxylate;(4-chlorophenyl)methyl 4-[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]piperazine-1-carboxylate;(2,4-dichlorophenyl)methyl 4-[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]piperazine-1-carboxylate;(3,4-dichlorophenyl)methyl 4-[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]piperazine-1-carboxylate;[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl 4-[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]piperazine-1-carboxylate;(4-propan-2-ylphenyl)methyl 4-[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]piperazine-1-carboxylate;[4-(trifluoromethoxy)phenyl]methyl 4-[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]piperazine-1-carboxylate |
|---|---|
| PubChem CID | 160965737 |
| Molecular Formula | C303H334Cl10F15N75O32S |
| Molecular Weight | 6210.07 g/mol |
| Exact Mass | 6201.32 |
| IUPAC Name | 1-[4-[4-(2H-benzotriazole-5-carbonyl)piperazin-1-yl]piperidin-1-yl]-3-(4-chloro-2-fluorophenyl)propan-1-one;1-[4-[4-(2H-benzotriazole-5-carbonyl)piperazin-1-yl]piperidin-1-yl]-3-[4-(trifluoromethyl)phenyl]propan-1-one;1-[4-[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]piperazin-1-yl]-3-(4-chloro-2-fluorophenyl)propan-1-one;1-[4-[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]piperazin-1-yl]-3-(3,5-dichlorophenyl)propan-1-one;2H-benzotriazol-5-yl-[4-[4-[6-(trifluoromethyl)-1H-benzimidazole-2-carbonyl]piperazin-1-yl]piperidin-1-yl]methanone;(4-chloro-2-fluorophenyl)methyl 4-[4-(2H-benzotriazole-5-carbonyl)piperazin-1-yl]piperidine-1-carboxylate;(4-chlorophenyl)methyl 4-[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]piperazine-1-carboxylate;(2,4-dichlorophenyl)methyl 4-[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]piperazine-1-carboxylate;(3,4-dichlorophenyl)methyl 4-[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]piperazine-1-carboxylate;[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl 4-[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]piperazine-1-carboxylate;(4-propan-2-ylphenyl)methyl 4-[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]piperazine-1-carboxylate;[4-(trifluoromethoxy)phenyl]methyl 4-[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]piperazine-1-carboxylate |
| SMILES | CC(C)c1ccc(COC(=O)N2CCN(C3CCN(C(=O)c4ccc5n[nH]nc5c4)CC3)CC2)cc1.Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COC(=O)N1CCN(C2CCN(C(=O)c3ccc4n[nH]nc4c3)CC2)CC1.O=C(CCc1cc(Cl)cc(Cl)c1)N1CCN(C2CCN(C(=O)c3ccc4n[nH]nc4c3)CC2)CC1.O=C(CCc1ccc(C(F)(F)F)cc1)N1CCC(N2CCN(C(=O)c3ccc4n[nH]nc4c3)CC2)CC1.O=C(CCc1ccc(Cl)cc1F)N1CCC(N2CCN(C(=O)c3ccc4n[nH]nc4c3)CC2)CC1.O=C(CCc1ccc(Cl)cc1F)N1CCN(C2CCN(C(=O)c3ccc4n[nH]nc4c3)CC2)CC1.O=C(OCc1ccc(Cl)c(Cl)c1)N1CCN(C2CCN(C(=O)c3ccc4n[nH]nc4c3)CC2)CC1.O=C(OCc1ccc(Cl)cc1)N1CCN(C2CCN(C(=O)c3ccc4n[nH]nc4c3)CC2)CC1.O=C(OCc1ccc(Cl)cc1Cl)N1CCN(C2CCN(C(=O)c3ccc4n[nH]nc4c3)CC2)CC1.O=C(OCc1ccc(Cl)cc1F)N1CCC(N2CCN(C(=O)c3ccc4n[nH]nc4c3)CC2)CC1.O=C(OCc1ccc(OC(F)(F)F)cc1)N1CCN(C2CCN(C(=O)c3ccc4n[nH]nc4c3)CC2)CC1.O=C(c1ccc2n[nH]nc2c1)N1CCC(N2CCN(C(=O)c3nc4ccc(C(F)(F)F)cc4[nH]3)CC2)CC1 |
| InChI | InChI=1S/C29H30F3N7O3S.C27H34N6O3.C26H29F3N6O2.C25H28Cl2N6O2.2C25H28ClFN6O2.C25H25F3N8O2.C25H27F3N6O4.2C24H26Cl2N6O3.C24H26ClFN6O3.C24H27ClN6O3/c1-18-25(43-26(33-18)19-2-5-21(6-3-19)29(30,31)32)17-42-28(41)39-14-12-37(13-15-39)22-8-10-38(11-9-22)27(40)20-4-7-23-24(16-20)35-36-34-23;1-19(2)21-5-3-20(4-6-21)18-36-27(35)33-15-13-31(14-16-33)23-9-11-32(12-10-23)26(34)22-7-8-24-25(17-22)29-30-28-24;27-26(28,29)20-5-1-18(2-6-20)3-8-24(36)34-11-9-21(10-12-34)33-13-15-35(16-14-33)25(37)19-4-7-22-23(17-19)31-32-30-22;26-19-13-17(14-20(27)16-19)1-4-24(34)32-11-9-31(10-12-32)21-5-7-33(8-6-21)25(35)18-2-3-22-23(15-18)29-30-28-22;26-19-4-1-17(21(27)16-19)3-6-24(34)32-13-11-31(12-14-32)20-7-9-33(10-8-20)25(35)18-2-5-22-23(15-18)29-30-28-22;26-19-4-1-17(21(27)16-19)3-6-24(34)32-9-7-20(8-10-32)31-11-13-33(14-12-31)25(35)18-2-5-22-23(15-18)29-30-28-22;26-25(27,28)16-2-4-18-20(14-16)30-22(29-18)24(38)36-11-9-34(10-12-36)17-5-7-35(8-6-17)23(37)15-1-3-19-21(13-15)32-33-31-19;26-25(27,28)38-20-4-1-17(2-5-20)16-37-24(36)34-13-11-32(12-14-34)19-7-9-33(10-8-19)23(35)18-3-6-21-22(15-18)30-31-29-21;25-18-3-1-17(20(26)14-18)15-35-24(34)32-11-9-30(10-12-32)19-5-7-31(8-6-19)23(33)16-2-4-21-22(13-16)28-29-27-21;25-19-3-1-16(13-20(19)26)15-35-24(34)32-11-9-30(10-12-32)18-5-7-31(8-6-18)23(33)17-2-4-21-22(14-17)28-29-27-21;25-18-3-1-17(20(26)14-18)15-35-24(34)32-7-5-19(6-8-32)30-9-11-31(12-10-30)23(33)16-2-4-21-22(13-16)28-29-27-21;25-19-4-1-17(2-5-19)16-34-24(33)31-13-11-29(12-14-31)20-7-9-30(10-8-20)23(32)18-3-6-21-22(15-18)27-28-26-21/h2-7,16,22H,8-15,17H2,1H3,(H,34,35,36);3-8,17,19,23H,9-16,18H2,1-2H3,(H,28,29,30);1-2,4-7,17,21H,3,8-16H2,(H,30,31,32);2-3,13-16,21H,1,4-12H2,(H,28,29,30);2*1-2,4-5,15-16,20H,3,6-14H2,(H,28,29,30);1-4,13-14,17H,5-12H2,(H,29,30)(H,31,32,33);1-6,15,19H,7-14,16H2,(H,29,30,31);1-4,13-14,19H,5-12,15H2,(H,27,28,29);1-4,13-14,18H,5-12,15H2,(H,27,28,29);1-4,13-14,19H,5-12,15H2,(H,27,28,29);1-6,15,20H,7-14,16H2,(H,26,27,28) |
| InChIKey | SXPCYFRHEAYEJJ-UHFFFAOYSA-N |
| XLogP | 42.33 |
| TPSA | 1140.57 Ų |
| H-Bond Donors | 13 |
| H-Bond Acceptors | 71 |
| Rotatable Bonds | 54 |
| Heavy Atoms | 436 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 6210.07 |
| LogP ≤ 5 | 42.33 |
| H-Bond Donors ≤ 5 | 13 |
| H-Bond Acceptors ≤ 10 | 71 |