C172H246F3N23O30S — CID 161295518
N-[2-(3,4-dimethoxycyclohexyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide;N-[2-(2,3-dimethoxyphenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide;N-[(2,3-dimethoxyphenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide;N-[2-(3-ethoxyphenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide;N-[(2-ethoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)piperidine-1-carboxamide;3-(hydroxymethyl)-N-[(4-methylsulfonylphenyl)methyl]piperidine-1-carboxamide;3-(hydroxymethyl)-N-(2-phenylethyl)piperidine-1-carboxamide;3-(hydroxymethyl)-N-(2-pyridin-3-ylethyl)piperidine-1-carboxamide;3-(hydroxymethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide;N-[(4-phenoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)piperidine-1-carboxamide (PubChem CID 161295518) has the molecular formula C172H246F3N23O30S and a molecular weight of 3205.05 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxycyclohexyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide;N-[2-(2,3-dimethoxyphenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide;N-[(2,3-dimethoxyphenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide;N-[2-(3-ethoxyphenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide;N-[(2-ethoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)piperidine-1-carboxamide;3-(hydroxymethyl)-N-[(4-methylsulfonylphenyl)methyl]piperidine-1-carboxamide;3-(hydroxymethyl)-N-(2-phenylethyl)piperidine-1-carboxamide;3-(hydroxymethyl)-N-(2-pyridin-3-ylethyl)piperidine-1-carboxamide;3-(hydroxymethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide;N-[(4-phenoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)piperidine-1-carboxamide.
| Compound Name | N-[2-(3,4-dimethoxycyclohexyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide;N-[2-(2,3-dimethoxyphenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide;N-[(2,3-dimethoxyphenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide;N-[2-(3-ethoxyphenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide;N-[(2-ethoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)piperidine-1-carboxamide;3-(hydroxymethyl)-N-[(4-methylsulfonylphenyl)methyl]piperidine-1-carboxamide;3-(hydroxymethyl)-N-(2-phenylethyl)piperidine-1-carboxamide;3-(hydroxymethyl)-N-(2-pyridin-3-ylethyl)piperidine-1-carboxamide;3-(hydroxymethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide;N-[(4-phenoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)piperidine-1-carboxamide |
|---|---|
| PubChem CID | 161295518 |
| Molecular Formula | C172H246F3N23O30S |
| Molecular Weight | 3205.05 g/mol |
| Exact Mass | 3202.81 |
| IUPAC Name | N-[2-(3,4-dimethoxycyclohexyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide;N-[2-(2,3-dimethoxyphenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide;N-[(2,3-dimethoxyphenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide;N-[2-(3-ethoxyphenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide;N-[(2-ethoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)piperidine-1-carboxamide;3-(hydroxymethyl)-N-[(4-methylsulfonylphenyl)methyl]piperidine-1-carboxamide;3-(hydroxymethyl)-N-(2-phenylethyl)piperidine-1-carboxamide;3-(hydroxymethyl)-N-(2-pyridin-3-ylethyl)piperidine-1-carboxamide;3-(hydroxymethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide;N-[(4-phenoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)piperidine-1-carboxamide |
| SMILES | CCOc1cccc(CCNC(=O)N2CCCC(CO)C2)c1.CCOc1ccccc1CNC(=O)N1CCC(Cc2cccnc2)CC1.COC1CCC(CCNC(=O)N2CCCC(CO)C2)CC1OC.COc1cccc(CCNC(=O)N2CCCC(CO)C2)c1OC.COc1cccc(CNC(=O)N2CCCC(CO)C2)c1OC.CS(=O)(=O)c1ccc(CNC(=O)N2CCCC(CO)C2)cc1.O=C(NCCc1ccccc1)N1CCCC(CO)C1.O=C(NCCc1cccnc1)N1CCCC(CO)C1.O=C(NCc1ccc(Oc2ccccc2)cc1)N1CCC(Cc2cccnc2)CC1.O=C(NCc1ccccc1OC(F)(F)F)N1CCCC(CO)C1 |
| InChI | InChI=1S/C25H27N3O2.C21H27N3O2.C17H26N2O4.C17H32N2O4.C17H26N2O3.C16H24N2O4.C15H19F3N2O3.C15H22N2O4S.C15H22N2O2.C14H21N3O2/c29-25(28-15-12-20(13-16-28)17-22-5-4-14-26-18-22)27-19-21-8-10-24(11-9-21)30-23-6-2-1-3-7-23;1-2-26-20-8-4-3-7-19(20)16-23-21(25)24-12-9-17(10-13-24)14-18-6-5-11-22-15-18;1-22-15-7-3-6-14(16(15)23-2)8-9-18-17(21)19-10-4-5-13(11-19)12-20;1-22-15-6-5-13(10-16(15)23-2)7-8-18-17(21)19-9-3-4-14(11-19)12-20;1-2-22-16-7-3-5-14(11-16)8-9-18-17(21)19-10-4-6-15(12-19)13-20;1-21-14-7-3-6-13(15(14)22-2)9-17-16(20)18-8-4-5-12(10-18)11-19;16-15(17,18)23-13-6-2-1-5-12(13)8-19-14(22)20-7-3-4-11(9-20)10-21;1-22(20,21)14-6-4-12(5-7-14)9-16-15(19)17-8-2-3-13(10-17)11-18;18-12-14-7-4-10-17(11-14)15(19)16-9-8-13-5-2-1-3-6-13;18-11-13-4-2-8-17(10-13)14(19)16-7-5-12-3-1-6-15-9-12/h1-11,14,18,20H,12-13,15-17,19H2,(H,27,29);3-8,11,15,17H,2,9-10,12-14,16H2,1H3,(H,23,25);3,6-7,13,20H,4-5,8-12H2,1-2H3,(H,18,21);13-16,20H,3-12H2,1-2H3,(H,18,21);3,5,7,11,15,20H,2,4,6,8-10,12-13H2,1H3,(H,18,21);3,6-7,12,19H,4-5,8-11H2,1-2H3,(H,17,20);1-2,5-6,11,21H,3-4,7-10H2,(H,19,22);4-7,13,18H,2-3,8-11H2,1H3,(H,16,19);1-3,5-6,14,18H,4,7-12H2,(H,16,19);1,3,6,9,13,18H,2,4-5,7-8,10-11H2,(H,16,19) |
| InChIKey | VGXNREIUTJPERB-UHFFFAOYSA-N |
| XLogP | 21.81 |
| TPSA | 650.35 Ų |
| H-Bond Donors | 18 |
| H-Bond Acceptors | 33 |
| Rotatable Bonds | 51 |
| Heavy Atoms | 229 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3205.05 |
| LogP ≤ 5 | 21.81 |
| H-Bond Donors ≤ 5 | 18 |
| H-Bond Acceptors ≤ 10 | 33 |