C156H255N7O25 — CID 158167636
tert-butyl piperidine-1-carboxylate;2-cyclohexylpropan-2-yl 4-phenylbutanoate;2,3-dimethylbutan-2-yl 2-oxopyrrolidine-1-carboxylate;(1-ethylcyclohexyl) 2-oxopyrrolidine-1-carboxylate;3-ethylpentan-3-yl 4-phenylbutanoate;(2-methyl-2-adamantyl) piperidine-1-carboxylate;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;2-methylbutan-2-yl 4-phenylbutanoate;2-methylbutan-2-yl piperidine-1-carboxylate;(1-methylcyclohexyl) piperidine-1-carboxylate;(1-propan-2-ylcyclohexyl) 4-phenylbutanoate (PubChem CID 158167636) has the molecular formula C156H255N7O25 and a molecular weight of 2628.78 g/mol. Its IUPAC name is tert-butyl piperidine-1-carboxylate;2-cyclohexylpropan-2-yl 4-phenylbutanoate;2,3-dimethylbutan-2-yl 2-oxopyrrolidine-1-carboxylate;(1-ethylcyclohexyl) 2-oxopyrrolidine-1-carboxylate;3-ethylpentan-3-yl 4-phenylbutanoate;(2-methyl-2-adamantyl) piperidine-1-carboxylate;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;2-methylbutan-2-yl 4-phenylbutanoate;2-methylbutan-2-yl piperidine-1-carboxylate;(1-methylcyclohexyl) piperidine-1-carboxylate;(1-propan-2-ylcyclohexyl) 4-phenylbutanoate.
| Compound Name | tert-butyl piperidine-1-carboxylate;2-cyclohexylpropan-2-yl 4-phenylbutanoate;2,3-dimethylbutan-2-yl 2-oxopyrrolidine-1-carboxylate;(1-ethylcyclohexyl) 2-oxopyrrolidine-1-carboxylate;3-ethylpentan-3-yl 4-phenylbutanoate;(2-methyl-2-adamantyl) piperidine-1-carboxylate;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;2-methylbutan-2-yl 4-phenylbutanoate;2-methylbutan-2-yl piperidine-1-carboxylate;(1-methylcyclohexyl) piperidine-1-carboxylate;(1-propan-2-ylcyclohexyl) 4-phenylbutanoate |
|---|---|
| PubChem CID | 158167636 |
| Molecular Formula | C156H255N7O25 |
| Molecular Weight | 2628.78 g/mol |
| Exact Mass | 2626.89 |
| IUPAC Name | tert-butyl piperidine-1-carboxylate;2-cyclohexylpropan-2-yl 4-phenylbutanoate;2,3-dimethylbutan-2-yl 2-oxopyrrolidine-1-carboxylate;(1-ethylcyclohexyl) 2-oxopyrrolidine-1-carboxylate;3-ethylpentan-3-yl 4-phenylbutanoate;(2-methyl-2-adamantyl) piperidine-1-carboxylate;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;2-methylbutan-2-yl 4-phenylbutanoate;2-methylbutan-2-yl piperidine-1-carboxylate;(1-methylcyclohexyl) piperidine-1-carboxylate;(1-propan-2-ylcyclohexyl) 4-phenylbutanoate |
| SMILES | CC(C)(C)OC(=O)N1CCCCC1.CC(C)(OC(=O)CCCc1ccccc1)C1CCCCC1.CC(C)C(C)(C)OC(=O)N1CCCC1=O.CC(C)C1(OC(=O)CCCc2ccccc2)CCCCC1.CC1(OC(=O)N2CCCCC2)C2CC3CC(C2)CC1C3.CC1(OC(=O)N2CCCCC2)CCCCC1.CCC(C)(C)OC(=O)CCCc1ccccc1.CCC(C)(C)OC(=O)N1CCC(O)CC1.CCC(C)(C)OC(=O)N1CCCCC1.CCC(CC)(CC)OC(=O)CCCc1ccccc1.CCC1(OC(=O)N2CCCC2=O)CCCCC1 |
| InChI | InChI=1S/2C19H28O2.C17H27NO2.C17H26O2.C15H22O2.C13H21NO3.C13H23NO2.C11H19NO3.C11H21NO3.C11H21NO2.C10H19NO2/c1-16(2)19(14-7-4-8-15-19)21-18(20)13-9-12-17-10-5-3-6-11-17;1-19(2,17-13-7-4-8-14-17)21-18(20)15-9-12-16-10-5-3-6-11-16;1-17(20-16(19)18-5-3-2-4-6-18)14-8-12-7-13(10-14)11-15(17)9-12;1-4-17(5-2,6-3)19-16(18)14-10-13-15-11-8-7-9-12-15;1-4-15(2,3)17-14(16)12-8-11-13-9-6-5-7-10-13;1-2-13(8-4-3-5-9-13)17-12(16)14-10-6-7-11(14)15;1-13(8-4-2-5-9-13)16-12(15)14-10-6-3-7-11-14;1-8(2)11(3,4)15-10(14)12-7-5-6-9(12)13;1-4-11(2,3)15-10(14)12-7-5-9(13)6-8-12;1-4-11(2,3)14-10(13)12-8-6-5-7-9-12;1-10(2,3)13-9(12)11-7-5-4-6-8-11/h3,5-6,10-11,16H,4,7-9,12-15H2,1-2H3;3,5-6,10-11,17H,4,7-9,12-15H2,1-2H3;12-15H,2-11H2,1H3;7-9,11-12H,4-6,10,13-14H2,1-3H3;5-7,9-10H,4,8,11-12H2,1-3H3;2-10H2,1H3;2-11H2,1H3;8H,5-7H2,1-4H3;9,13H,4-8H2,1-3H3;4-9H2,1-3H3;4-8H2,1-3H3 |
| InChIKey | FXAVCQZVIQSKKZ-UHFFFAOYSA-N |
| XLogP | 37.25 |
| TPSA | 366.35 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 36 |
| Heavy Atoms | 188 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2628.78 |
| LogP ≤ 5 | 37.25 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 25 |
| Structural Alerts | {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'} |
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