C146H180F3N35O22 — CID 160571876
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrazin-2-yloxypiperidine-1-carboxamide;N-[(2,3-dimethoxyphenyl)methyl]-4-pyrazin-2-yloxypiperidine-1-carboxamide;N-[2-(3-ethoxyphenyl)ethyl]-4-pyrazin-2-yloxypiperidine-1-carboxamide;N-(2-phenylethyl)-4-pyrazin-2-yloxypiperidine-1-carboxamide;4-pyrazin-2-yloxy-N-(2-pyridin-2-ylethyl)piperidine-1-carboxamide;4-pyrazin-2-yloxy-N-(2-pyridin-3-ylethyl)piperidine-1-carboxamide;4-pyrazin-2-yloxy-N-(2-pyridin-4-ylethyl)piperidine-1-carboxamide;4-pyrazin-2-yloxy-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide (PubChem CID 160571876) has the molecular formula C146H180F3N35O22 and a molecular weight of 2834.26 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrazin-2-yloxypiperidine-1-carboxamide;N-[(2,3-dimethoxyphenyl)methyl]-4-pyrazin-2-yloxypiperidine-1-carboxamide;N-[2-(3-ethoxyphenyl)ethyl]-4-pyrazin-2-yloxypiperidine-1-carboxamide;N-(2-phenylethyl)-4-pyrazin-2-yloxypiperidine-1-carboxamide;4-pyrazin-2-yloxy-N-(2-pyridin-2-ylethyl)piperidine-1-carboxamide;4-pyrazin-2-yloxy-N-(2-pyridin-3-ylethyl)piperidine-1-carboxamide;4-pyrazin-2-yloxy-N-(2-pyridin-4-ylethyl)piperidine-1-carboxamide;4-pyrazin-2-yloxy-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide.
| Compound Name | N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrazin-2-yloxypiperidine-1-carboxamide;N-[(2,3-dimethoxyphenyl)methyl]-4-pyrazin-2-yloxypiperidine-1-carboxamide;N-[2-(3-ethoxyphenyl)ethyl]-4-pyrazin-2-yloxypiperidine-1-carboxamide;N-(2-phenylethyl)-4-pyrazin-2-yloxypiperidine-1-carboxamide;4-pyrazin-2-yloxy-N-(2-pyridin-2-ylethyl)piperidine-1-carboxamide;4-pyrazin-2-yloxy-N-(2-pyridin-3-ylethyl)piperidine-1-carboxamide;4-pyrazin-2-yloxy-N-(2-pyridin-4-ylethyl)piperidine-1-carboxamide;4-pyrazin-2-yloxy-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide |
|---|---|
| PubChem CID | 160571876 |
| Molecular Formula | C146H180F3N35O22 |
| Molecular Weight | 2834.26 g/mol |
| Exact Mass | 2832.40 |
| IUPAC Name | N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrazin-2-yloxypiperidine-1-carboxamide;N-[(2,3-dimethoxyphenyl)methyl]-4-pyrazin-2-yloxypiperidine-1-carboxamide;N-[2-(3-ethoxyphenyl)ethyl]-4-pyrazin-2-yloxypiperidine-1-carboxamide;N-(2-phenylethyl)-4-pyrazin-2-yloxypiperidine-1-carboxamide;4-pyrazin-2-yloxy-N-(2-pyridin-2-ylethyl)piperidine-1-carboxamide;4-pyrazin-2-yloxy-N-(2-pyridin-3-ylethyl)piperidine-1-carboxamide;4-pyrazin-2-yloxy-N-(2-pyridin-4-ylethyl)piperidine-1-carboxamide;4-pyrazin-2-yloxy-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide |
| SMILES | CCOc1cccc(CCNC(=O)N2CCC(Oc3cnccn3)CC2)c1.COc1ccc(CCNC(=O)N2CCC(Oc3cnccn3)CC2)cc1OC.COc1cccc(CNC(=O)N2CCC(Oc3cnccn3)CC2)c1OC.O=C(NCCc1ccccc1)N1CCC(Oc2cnccn2)CC1.O=C(NCCc1ccccn1)N1CCC(Oc2cnccn2)CC1.O=C(NCCc1cccnc1)N1CCC(Oc2cnccn2)CC1.O=C(NCCc1ccncc1)N1CCC(Oc2cnccn2)CC1.O=C(NCc1ccccc1OC(F)(F)F)N1CCC(Oc2cnccn2)CC1 |
| InChI | InChI=1S/C20H26N4O4.C20H26N4O3.C19H24N4O4.C18H19F3N4O3.C18H22N4O2.3C17H21N5O2/c1-26-17-4-3-15(13-18(17)27-2)5-8-23-20(25)24-11-6-16(7-12-24)28-19-14-21-9-10-22-19;1-2-26-18-5-3-4-16(14-18)6-9-23-20(25)24-12-7-17(8-13-24)27-19-15-21-10-11-22-19;1-25-16-5-3-4-14(18(16)26-2)12-22-19(24)23-10-6-15(7-11-23)27-17-13-20-8-9-21-17;19-18(20,21)28-15-4-2-1-3-13(15)11-24-17(26)25-9-5-14(6-10-25)27-16-12-22-7-8-23-16;23-18(21-9-6-15-4-2-1-3-5-15)22-12-7-16(8-13-22)24-17-14-19-10-11-20-17;23-17(21-8-3-14-1-6-18-7-2-14)22-11-4-15(5-12-22)24-16-13-19-9-10-20-16;23-17(21-7-3-14-2-1-6-18-12-14)22-10-4-15(5-11-22)24-16-13-19-8-9-20-16;23-17(21-8-4-14-3-1-2-7-19-14)22-11-5-15(6-12-22)24-16-13-18-9-10-20-16/h3-4,9-10,13-14,16H,5-8,11-12H2,1-2H3,(H,23,25);3-5,10-11,14-15,17H,2,6-9,12-13H2,1H3,(H,23,25);3-5,8-9,13,15H,6-7,10-12H2,1-2H3,(H,22,24);1-4,7-8,12,14H,5-6,9-11H2,(H,24,26);1-5,10-11,14,16H,6-9,12-13H2,(H,21,23);1-2,6-7,9-10,13,15H,3-5,8,11-12H2,(H,21,23);1-2,6,8-9,12-13,15H,3-5,7,10-11H2,(H,21,23);1-3,7,9-10,13,15H,4-6,8,11-12H2,(H,21,23) |
| InChIKey | RAQQDPYAKSTPRI-UHFFFAOYSA-N |
| XLogP | 17.61 |
| TPSA | 632.85 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 41 |
| Rotatable Bonds | 45 |
| Heavy Atoms | 206 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2834.26 |
| LogP ≤ 5 | 17.61 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 41 |