C155H190F3N27O22S — CID 160962778
N-[2-(2,3-dimethoxyphenyl)ethyl]-4-pyridin-2-yloxypiperidine-1-carboxamide;N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyridin-2-yloxypiperidine-1-carboxamide;N-[1-(4-methylsulfonylphenyl)ethyl]-4-pyridin-2-yloxypiperidine-1-carboxamide;N-(2-phenylethyl)-4-pyridin-2-yloxypiperidine-1-carboxamide;N-(2-pyridin-2-ylethyl)-4-pyridin-2-yloxypiperidine-1-carboxamide;N-(2-pyridin-3-ylethyl)-4-pyridin-2-yloxypiperidine-1-carboxamide;N-(2-pyridin-4-ylethyl)-4-pyridin-2-yloxypiperidine-1-carboxamide;4-(pyridin-2-ylmethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide (PubChem CID 160962778) has the molecular formula C155H190F3N27O22S and a molecular weight of 2872.45 g/mol. Its IUPAC name is N-[2-(2,3-dimethoxyphenyl)ethyl]-4-pyridin-2-yloxypiperidine-1-carboxamide;N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyridin-2-yloxypiperidine-1-carboxamide;N-[1-(4-methylsulfonylphenyl)ethyl]-4-pyridin-2-yloxypiperidine-1-carboxamide;N-(2-phenylethyl)-4-pyridin-2-yloxypiperidine-1-carboxamide;N-(2-pyridin-2-ylethyl)-4-pyridin-2-yloxypiperidine-1-carboxamide;N-(2-pyridin-3-ylethyl)-4-pyridin-2-yloxypiperidine-1-carboxamide;N-(2-pyridin-4-ylethyl)-4-pyridin-2-yloxypiperidine-1-carboxamide;4-(pyridin-2-ylmethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide.
| Compound Name | N-[2-(2,3-dimethoxyphenyl)ethyl]-4-pyridin-2-yloxypiperidine-1-carboxamide;N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyridin-2-yloxypiperidine-1-carboxamide;N-[1-(4-methylsulfonylphenyl)ethyl]-4-pyridin-2-yloxypiperidine-1-carboxamide;N-(2-phenylethyl)-4-pyridin-2-yloxypiperidine-1-carboxamide;N-(2-pyridin-2-ylethyl)-4-pyridin-2-yloxypiperidine-1-carboxamide;N-(2-pyridin-3-ylethyl)-4-pyridin-2-yloxypiperidine-1-carboxamide;N-(2-pyridin-4-ylethyl)-4-pyridin-2-yloxypiperidine-1-carboxamide;4-(pyridin-2-ylmethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide |
|---|---|
| PubChem CID | 160962778 |
| Molecular Formula | C155H190F3N27O22S |
| Molecular Weight | 2872.45 g/mol |
| Exact Mass | 2870.43 |
| IUPAC Name | N-[2-(2,3-dimethoxyphenyl)ethyl]-4-pyridin-2-yloxypiperidine-1-carboxamide;N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyridin-2-yloxypiperidine-1-carboxamide;N-[1-(4-methylsulfonylphenyl)ethyl]-4-pyridin-2-yloxypiperidine-1-carboxamide;N-(2-phenylethyl)-4-pyridin-2-yloxypiperidine-1-carboxamide;N-(2-pyridin-2-ylethyl)-4-pyridin-2-yloxypiperidine-1-carboxamide;N-(2-pyridin-3-ylethyl)-4-pyridin-2-yloxypiperidine-1-carboxamide;N-(2-pyridin-4-ylethyl)-4-pyridin-2-yloxypiperidine-1-carboxamide;4-(pyridin-2-ylmethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide |
| SMILES | CC(NC(=O)N1CCC(Oc2ccccn2)CC1)c1ccc(S(C)(=O)=O)cc1.COc1ccc(CCNC(=O)N2CCC(Oc3ccccn3)CC2)cc1OC.COc1cccc(CCNC(=O)N2CCC(Oc3ccccn3)CC2)c1OC.O=C(NCCc1ccccc1)N1CCC(Oc2ccccn2)CC1.O=C(NCCc1ccccn1)N1CCC(Oc2ccccn2)CC1.O=C(NCCc1cccnc1)N1CCC(Oc2ccccn2)CC1.O=C(NCCc1ccncc1)N1CCC(Oc2ccccn2)CC1.O=C(NCc1ccccc1OC(F)(F)F)N1CCC(Cc2ccccn2)CC1 |
| InChI | InChI=1S/2C21H27N3O4.C20H22F3N3O2.C20H25N3O4S.C19H23N3O2.3C18H22N4O2/c1-26-18-7-5-6-16(20(18)27-2)9-13-23-21(25)24-14-10-17(11-15-24)28-19-8-3-4-12-22-19;1-26-18-7-6-16(15-19(18)27-2)8-12-23-21(25)24-13-9-17(10-14-24)28-20-5-3-4-11-22-20;21-20(22,23)28-18-7-2-1-5-16(18)14-25-19(27)26-11-8-15(9-12-26)13-17-6-3-4-10-24-17;1-15(16-6-8-18(9-7-16)28(2,25)26)22-20(24)23-13-10-17(11-14-23)27-19-5-3-4-12-21-19;23-19(21-13-9-16-6-2-1-3-7-16)22-14-10-17(11-15-22)24-18-8-4-5-12-20-18;23-18(21-12-7-15-5-1-3-10-19-15)22-13-8-16(9-14-22)24-17-6-2-4-11-20-17;23-18(21-11-6-15-4-3-9-19-14-15)22-12-7-16(8-13-22)24-17-5-1-2-10-20-17;23-18(21-12-6-15-4-10-19-11-5-15)22-13-7-16(8-14-22)24-17-3-1-2-9-20-17/h3-8,12,17H,9-11,13-15H2,1-2H3,(H,23,25);3-7,11,15,17H,8-10,12-14H2,1-2H3,(H,23,25);1-7,10,15H,8-9,11-14H2,(H,25,27);3-9,12,15,17H,10-11,13-14H2,1-2H3,(H,22,24);1-8,12,17H,9-11,13-15H2,(H,21,23);1-6,10-11,16H,7-9,12-14H2,(H,21,23);1-5,9-10,14,16H,6-8,11-13H2,(H,21,23);1-5,9-11,16H,6-8,12-14H2,(H,21,23) |
| InChIKey | SXFJGCZAEYBPRZ-UHFFFAOYSA-N |
| XLogP | 22.43 |
| TPSA | 545.41 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 33 |
| Rotatable Bonds | 44 |
| Heavy Atoms | 208 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2872.45 |
| LogP ≤ 5 | 22.43 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 33 |