C194H226F5N31O23 — CID 158211785
N-[2-(2,3-dimethoxyphenyl)ethyl]-4-(4-fluorophenoxy)piperidine-1-carboxamide;N-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyridin-3-ylpyrrolidine-1-carboxamide;N-[(2,3-dimethoxyphenyl)methyl]-4-(4-fluorophenoxy)piperidine-1-carboxamide;N-[(2,3-dimethoxyphenyl)methyl]-3-pyridin-3-ylpyrrolidine-1-carboxamide;N-[2-(3-ethoxyphenyl)ethyl]-3-pyridin-3-ylpyrrolidine-1-carboxamide;N-[(4-phenoxyphenyl)methyl]-3-pyridin-3-ylpyrrolidine-1-carboxamide;3-pyridin-3-yl-N-(2-pyridin-2-ylethyl)pyrrolidine-1-carboxamide;3-pyridin-3-yl-N-(2-pyridin-3-ylethyl)pyrrolidine-1-carboxamide;3-pyridin-3-yl-N-(2-pyridin-4-ylethyl)pyrrolidine-1-carboxamide;3-pyridin-3-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-1-carboxamide (PubChem CID 158211785) has the molecular formula C194H226F5N31O23 and a molecular weight of 3455.13 g/mol. Its IUPAC name is N-[2-(2,3-dimethoxyphenyl)ethyl]-4-(4-fluorophenoxy)piperidine-1-carboxamide;N-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyridin-3-ylpyrrolidine-1-carboxamide;N-[(2,3-dimethoxyphenyl)methyl]-4-(4-fluorophenoxy)piperidine-1-carboxamide;N-[(2,3-dimethoxyphenyl)methyl]-3-pyridin-3-ylpyrrolidine-1-carboxamide;N-[2-(3-ethoxyphenyl)ethyl]-3-pyridin-3-ylpyrrolidine-1-carboxamide;N-[(4-phenoxyphenyl)methyl]-3-pyridin-3-ylpyrrolidine-1-carboxamide;3-pyridin-3-yl-N-(2-pyridin-2-ylethyl)pyrrolidine-1-carboxamide;3-pyridin-3-yl-N-(2-pyridin-3-ylethyl)pyrrolidine-1-carboxamide;3-pyridin-3-yl-N-(2-pyridin-4-ylethyl)pyrrolidine-1-carboxamide;3-pyridin-3-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-1-carboxamide.
| Compound Name | N-[2-(2,3-dimethoxyphenyl)ethyl]-4-(4-fluorophenoxy)piperidine-1-carboxamide;N-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyridin-3-ylpyrrolidine-1-carboxamide;N-[(2,3-dimethoxyphenyl)methyl]-4-(4-fluorophenoxy)piperidine-1-carboxamide;N-[(2,3-dimethoxyphenyl)methyl]-3-pyridin-3-ylpyrrolidine-1-carboxamide;N-[2-(3-ethoxyphenyl)ethyl]-3-pyridin-3-ylpyrrolidine-1-carboxamide;N-[(4-phenoxyphenyl)methyl]-3-pyridin-3-ylpyrrolidine-1-carboxamide;3-pyridin-3-yl-N-(2-pyridin-2-ylethyl)pyrrolidine-1-carboxamide;3-pyridin-3-yl-N-(2-pyridin-3-ylethyl)pyrrolidine-1-carboxamide;3-pyridin-3-yl-N-(2-pyridin-4-ylethyl)pyrrolidine-1-carboxamide;3-pyridin-3-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-1-carboxamide |
|---|---|
| PubChem CID | 158211785 |
| Molecular Formula | C194H226F5N31O23 |
| Molecular Weight | 3455.13 g/mol |
| Exact Mass | 3452.74 |
| IUPAC Name | N-[2-(2,3-dimethoxyphenyl)ethyl]-4-(4-fluorophenoxy)piperidine-1-carboxamide;N-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyridin-3-ylpyrrolidine-1-carboxamide;N-[(2,3-dimethoxyphenyl)methyl]-4-(4-fluorophenoxy)piperidine-1-carboxamide;N-[(2,3-dimethoxyphenyl)methyl]-3-pyridin-3-ylpyrrolidine-1-carboxamide;N-[2-(3-ethoxyphenyl)ethyl]-3-pyridin-3-ylpyrrolidine-1-carboxamide;N-[(4-phenoxyphenyl)methyl]-3-pyridin-3-ylpyrrolidine-1-carboxamide;3-pyridin-3-yl-N-(2-pyridin-2-ylethyl)pyrrolidine-1-carboxamide;3-pyridin-3-yl-N-(2-pyridin-3-ylethyl)pyrrolidine-1-carboxamide;3-pyridin-3-yl-N-(2-pyridin-4-ylethyl)pyrrolidine-1-carboxamide;3-pyridin-3-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-1-carboxamide |
| SMILES | CCOc1cccc(CCNC(=O)N2CCC(c3cccnc3)C2)c1.COc1ccc(CCNC(=O)N2CCC(c3cccnc3)C2)cc1OC.COc1cccc(CCNC(=O)N2CCC(Oc3ccc(F)cc3)CC2)c1OC.COc1cccc(CNC(=O)N2CCC(Oc3ccc(F)cc3)CC2)c1OC.COc1cccc(CNC(=O)N2CCC(c3cccnc3)C2)c1OC.O=C(NCCc1ccccn1)N1CCC(c2cccnc2)C1.O=C(NCCc1cccnc1)N1CCC(c2cccnc2)C1.O=C(NCCc1ccncc1)N1CCC(c2cccnc2)C1.O=C(NCc1ccc(Oc2ccccc2)cc1)N1CCC(c2cccnc2)C1.O=C(NCc1ccccc1OC(F)(F)F)N1CCC(c2cccnc2)C1 |
| InChI | InChI=1S/C23H23N3O2.C22H27FN2O4.C21H25FN2O4.C20H25N3O3.C20H25N3O2.C19H23N3O3.C18H18F3N3O2.3C17H20N4O/c27-23(26-14-12-20(17-26)19-5-4-13-24-16-19)25-15-18-8-10-22(11-9-18)28-21-6-2-1-3-7-21;1-27-20-5-3-4-16(21(20)28-2)10-13-24-22(26)25-14-11-19(12-15-25)29-18-8-6-17(23)7-9-18;1-26-19-5-3-4-15(20(19)27-2)14-23-21(25)24-12-10-18(11-13-24)28-17-8-6-16(22)7-9-17;1-25-18-6-5-15(12-19(18)26-2)7-10-22-20(24)23-11-8-17(14-23)16-4-3-9-21-13-16;1-2-25-19-7-3-5-16(13-19)8-11-22-20(24)23-12-9-18(15-23)17-6-4-10-21-14-17;1-24-17-7-3-5-15(18(17)25-2)12-21-19(23)22-10-8-16(13-22)14-6-4-9-20-11-14;19-18(20,21)26-16-6-2-1-4-14(16)11-23-17(25)24-9-7-15(12-24)13-5-3-8-22-10-13;22-17(20-9-5-14-3-1-7-18-11-14)21-10-6-16(13-21)15-4-2-8-19-12-15;22-17(20-10-5-14-3-8-18-9-4-14)21-11-6-16(13-21)15-2-1-7-19-12-15;22-17(20-10-6-16-5-1-2-9-19-16)21-11-7-15(13-21)14-4-3-8-18-12-14/h1-11,13,16,20H,12,14-15,17H2,(H,25,27);3-9,19H,10-15H2,1-2H3,(H,24,26);3-9,18H,10-14H2,1-2H3,(H,23,25);3-6,9,12-13,17H,7-8,10-11,14H2,1-2H3,(H,22,24);3-7,10,13-14,18H,2,8-9,11-12,15H2,1H3,(H,22,24);3-7,9,11,16H,8,10,12-13H2,1-2H3,(H,21,23);1-6,8,10,15H,7,9,11-12H2,(H,23,25);1-4,7-8,11-12,16H,5-6,9-10,13H2,(H,20,22);1-4,7-9,12,16H,5-6,10-11,13H2,(H,20,22);1-5,8-9,12,15H,6-7,10-11,13H2,(H,20,22) |
| InChIKey | GCDZMRGEUSRWDZ-UHFFFAOYSA-N |
| XLogP | 31.00 |
| TPSA | 585.18 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 34 |
| Rotatable Bonds | 51 |
| Heavy Atoms | 253 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3455.13 |
| LogP ≤ 5 | 31.00 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 34 |