C159H197N27O18 — CID 167642648
N-benzyl-4-(2-methylidene-3H-1-benzofuran-5-yl)piperazine-1-carboxamide;N-benzyl-4-(2-methylidene-3H-1,3-benzoxazol-6-yl)piperazine-1-carboxamide;N-cyclohexyl-4-(2-methylidene-3H-1-benzofuran-5-yl)piperazine-1-carboxamide;N-cyclohexyl-4-(2-methylidene-3H-1,3-benzoxazol-6-yl)piperazine-1-carboxamide;N-cyclopentyl-4-(2-methylidene-3H-1-benzofuran-5-yl)piperazine-1-carboxamide;N-ethyl-4-(2-methylidene-3H-1-benzofuran-5-yl)piperazine-1-carboxamide;bis(1-[4-(2-methylidene-3H-1-benzofuran-5-yl)piperazin-1-yl]ethanone);1-[4-(2-methylidene-3H-1,3-benzoxazol-6-yl)piperazin-1-yl]ethanone (PubChem CID 167642648) has the molecular formula C159H197N27O18 and a molecular weight of 2774.50 g/mol. Its IUPAC name is N-benzyl-4-(2-methylidene-3H-1-benzofuran-5-yl)piperazine-1-carboxamide;N-benzyl-4-(2-methylidene-3H-1,3-benzoxazol-6-yl)piperazine-1-carboxamide;N-cyclohexyl-4-(2-methylidene-3H-1-benzofuran-5-yl)piperazine-1-carboxamide;N-cyclohexyl-4-(2-methylidene-3H-1,3-benzoxazol-6-yl)piperazine-1-carboxamide;N-cyclopentyl-4-(2-methylidene-3H-1-benzofuran-5-yl)piperazine-1-carboxamide;N-ethyl-4-(2-methylidene-3H-1-benzofuran-5-yl)piperazine-1-carboxamide;bis(1-[4-(2-methylidene-3H-1-benzofuran-5-yl)piperazin-1-yl]ethanone);1-[4-(2-methylidene-3H-1,3-benzoxazol-6-yl)piperazin-1-yl]ethanone.
| Compound Name | N-benzyl-4-(2-methylidene-3H-1-benzofuran-5-yl)piperazine-1-carboxamide;N-benzyl-4-(2-methylidene-3H-1,3-benzoxazol-6-yl)piperazine-1-carboxamide;N-cyclohexyl-4-(2-methylidene-3H-1-benzofuran-5-yl)piperazine-1-carboxamide;N-cyclohexyl-4-(2-methylidene-3H-1,3-benzoxazol-6-yl)piperazine-1-carboxamide;N-cyclopentyl-4-(2-methylidene-3H-1-benzofuran-5-yl)piperazine-1-carboxamide;N-ethyl-4-(2-methylidene-3H-1-benzofuran-5-yl)piperazine-1-carboxamide;bis(1-[4-(2-methylidene-3H-1-benzofuran-5-yl)piperazin-1-yl]ethanone);1-[4-(2-methylidene-3H-1,3-benzoxazol-6-yl)piperazin-1-yl]ethanone |
|---|---|
| PubChem CID | 167642648 |
| Molecular Formula | C159H197N27O18 |
| Molecular Weight | 2774.50 g/mol |
| Exact Mass | 2772.53 |
| IUPAC Name | N-benzyl-4-(2-methylidene-3H-1-benzofuran-5-yl)piperazine-1-carboxamide;N-benzyl-4-(2-methylidene-3H-1,3-benzoxazol-6-yl)piperazine-1-carboxamide;N-cyclohexyl-4-(2-methylidene-3H-1-benzofuran-5-yl)piperazine-1-carboxamide;N-cyclohexyl-4-(2-methylidene-3H-1,3-benzoxazol-6-yl)piperazine-1-carboxamide;N-cyclopentyl-4-(2-methylidene-3H-1-benzofuran-5-yl)piperazine-1-carboxamide;N-ethyl-4-(2-methylidene-3H-1-benzofuran-5-yl)piperazine-1-carboxamide;bis(1-[4-(2-methylidene-3H-1-benzofuran-5-yl)piperazin-1-yl]ethanone);1-[4-(2-methylidene-3H-1,3-benzoxazol-6-yl)piperazin-1-yl]ethanone |
| SMILES | C=C1Cc2cc(N3CCN(C(=O)NC4CCCC4)CC3)ccc2O1.C=C1Cc2cc(N3CCN(C(=O)NC4CCCCC4)CC3)ccc2O1.C=C1Cc2cc(N3CCN(C(=O)NCC)CC3)ccc2O1.C=C1Cc2cc(N3CCN(C(=O)NCc4ccccc4)CC3)ccc2O1.C=C1Cc2cc(N3CCN(C(C)=O)CC3)ccc2O1.C=C1Cc2cc(N3CCN(C(C)=O)CC3)ccc2O1.C=C1Nc2ccc(N3CCN(C(=O)NC4CCCCC4)CC3)cc2O1.C=C1Nc2ccc(N3CCN(C(=O)NCc4ccccc4)CC3)cc2O1.C=C1Nc2ccc(N3CCN(C(C)=O)CC3)cc2O1 |
| InChI | InChI=1S/C21H23N3O2.C20H22N4O2.C20H27N3O2.C19H26N4O2.C19H25N3O2.C16H21N3O2.2C15H18N2O2.C14H17N3O2/c1-16-13-18-14-19(7-8-20(18)26-16)23-9-11-24(12-10-23)21(25)22-15-17-5-3-2-4-6-17;1-15-22-18-8-7-17(13-19(18)26-15)23-9-11-24(12-10-23)20(25)21-14-16-5-3-2-4-6-16;1-15-13-16-14-18(7-8-19(16)25-15)22-9-11-23(12-10-22)20(24)21-17-5-3-2-4-6-17;1-14-20-17-8-7-16(13-18(17)25-14)22-9-11-23(12-10-22)19(24)21-15-5-3-2-4-6-15;1-14-12-15-13-17(6-7-18(15)24-14)21-8-10-22(11-9-21)19(23)20-16-4-2-3-5-16;1-3-17-16(20)19-8-6-18(7-9-19)14-4-5-15-13(11-14)10-12(2)21-15;2*1-11-9-13-10-14(3-4-15(13)19-11)17-7-5-16(6-8-17)12(2)18;1-10-15-13-4-3-12(9-14(13)19-10)17-7-5-16(6-8-17)11(2)18/h2-8,14H,1,9-13,15H2,(H,22,25);2-8,13,22H,1,9-12,14H2,(H,21,25);7-8,14,17H,1-6,9-13H2,(H,21,24);7-8,13,15,20H,1-6,9-12H2,(H,21,24);6-7,13,16H,1-5,8-12H2,(H,20,23);4-5,11H,2-3,6-10H2,1H3,(H,17,20);2*3-4,10H,1,5-9H2,2H3;3-4,9,15H,1,5-8H2,2H3 |
| InChIKey | PJRNYRSPYZYQPO-UHFFFAOYSA-N |
| XLogP | 22.72 |
| TPSA | 403.29 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 17 |
| Heavy Atoms | 204 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2774.50 |
| LogP ≤ 5 | 22.72 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 30 |