C137H163F2N23O21 — CID 160867177
(2-amino-2-oxoethyl) 4-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]butanoate;(2-amino-2-oxoethyl) 3-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 2-[1-[3-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]acetate;(2-amino-2-oxoethyl) 3-[1-[3-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 2-[1-(3-phenyl-2-pyridinyl)piperidin-4-yl]acetate;(2-amino-2-oxoethyl) 4-[1-(3-phenyl-2-pyridinyl)piperidin-4-yl]butanoate;(2-amino-2-oxoethyl) 3-[1-(3-phenyl-2-pyridinyl)piperidin-4-yl]propanoate (PubChem CID 160867177) has the molecular formula C137H163F2N23O21 and a molecular weight of 2505.95 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) 4-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]butanoate;(2-amino-2-oxoethyl) 3-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 2-[1-[3-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]acetate;(2-amino-2-oxoethyl) 3-[1-[3-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 2-[1-(3-phenyl-2-pyridinyl)piperidin-4-yl]acetate;(2-amino-2-oxoethyl) 4-[1-(3-phenyl-2-pyridinyl)piperidin-4-yl]butanoate;(2-amino-2-oxoethyl) 3-[1-(3-phenyl-2-pyridinyl)piperidin-4-yl]propanoate.
| Compound Name | (2-amino-2-oxoethyl) 4-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]butanoate;(2-amino-2-oxoethyl) 3-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 2-[1-[3-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]acetate;(2-amino-2-oxoethyl) 3-[1-[3-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 2-[1-(3-phenyl-2-pyridinyl)piperidin-4-yl]acetate;(2-amino-2-oxoethyl) 4-[1-(3-phenyl-2-pyridinyl)piperidin-4-yl]butanoate;(2-amino-2-oxoethyl) 3-[1-(3-phenyl-2-pyridinyl)piperidin-4-yl]propanoate |
|---|---|
| PubChem CID | 160867177 |
| Molecular Formula | C137H163F2N23O21 |
| Molecular Weight | 2505.95 g/mol |
| Exact Mass | 2504.24 |
| IUPAC Name | (2-amino-2-oxoethyl) 4-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]butanoate;(2-amino-2-oxoethyl) 3-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 2-[1-[3-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]acetate;(2-amino-2-oxoethyl) 3-[1-[3-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]propanoate;(2-amino-2-oxoethyl) 2-[1-(3-phenyl-2-pyridinyl)piperidin-4-yl]acetate;(2-amino-2-oxoethyl) 4-[1-(3-phenyl-2-pyridinyl)piperidin-4-yl]butanoate;(2-amino-2-oxoethyl) 3-[1-(3-phenyl-2-pyridinyl)piperidin-4-yl]propanoate |
| SMILES | N#Cc1cccnc1N1CCC(CCC(=O)OCC(N)=O)CC1.N#Cc1cccnc1N1CCC(CCCC(=O)OCC(N)=O)CC1.NC(=O)COC(=O)CC1CCN(c2ncccc2-c2ccc(F)cc2)CC1.NC(=O)COC(=O)CC1CCN(c2ncccc2-c2ccccc2)CC1.NC(=O)COC(=O)CCC1CCN(c2ncccc2-c2ccc(F)cc2)CC1.NC(=O)COC(=O)CCC1CCN(c2ncccc2-c2ccccc2)CC1.NC(=O)COC(=O)CCCC1CCN(c2ncccc2-c2ccccc2)CC1 |
| InChI | InChI=1S/C22H27N3O3.C21H24FN3O3.C21H25N3O3.C20H22FN3O3.C20H23N3O3.C17H22N4O3.C16H20N4O3/c23-20(26)16-28-21(27)10-4-6-17-11-14-25(15-12-17)22-19(9-5-13-24-22)18-7-2-1-3-8-18;22-17-6-4-16(5-7-17)18-2-1-11-24-21(18)25-12-9-15(10-13-25)3-8-20(27)28-14-19(23)26;22-19(25)15-27-20(26)9-8-16-10-13-24(14-11-16)21-18(7-4-12-23-21)17-5-2-1-3-6-17;21-16-5-3-15(4-6-16)17-2-1-9-23-20(17)24-10-7-14(8-11-24)12-19(26)27-13-18(22)25;21-18(24)14-26-19(25)13-15-8-11-23(12-9-15)20-17(7-4-10-22-20)16-5-2-1-3-6-16;18-11-14-4-2-8-20-17(14)21-9-6-13(7-10-21)3-1-5-16(23)24-12-15(19)22;17-10-13-2-1-7-19-16(13)20-8-5-12(6-9-20)3-4-15(22)23-11-14(18)21/h1-3,5,7-9,13,17H,4,6,10-12,14-16H2,(H2,23,26);1-2,4-7,11,15H,3,8-10,12-14H2,(H2,23,26);1-7,12,16H,8-11,13-15H2,(H2,22,25);1-6,9,14H,7-8,10-13H2,(H2,22,25);1-7,10,15H,8-9,11-14H2,(H2,21,24);2,4,8,13H,1,3,5-7,9-10,12H2,(H2,19,22);1-2,7,12H,3-6,8-9,11H2,(H2,18,21) |
| InChIKey | SLGRGGZUEQSUST-UHFFFAOYSA-N |
| XLogP | 16.10 |
| TPSA | 646.22 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 37 |
| Rotatable Bonds | 47 |
| Heavy Atoms | 183 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2505.95 |
| LogP ≤ 5 | 16.10 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 37 |
| Structural Alerts | {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'} |
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