C133H257F3N20O14 — CID 157198358
tert-butyl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate;2-cyclopropyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)acetamide;2-hydroxy-3-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)butanamide;3-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)butanamide;2-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)propanamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)cyclopropanecarboxamide;N-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)cyclopropanecarboxamide;2-methylpropyl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate;propan-2-yl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate;3,3,3-trifluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)propanamide (PubChem CID 157198358) has the molecular formula C133H257F3N20O14 and a molecular weight of 2417.64 g/mol. Its IUPAC name is tert-butyl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate;2-cyclopropyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)acetamide;2-hydroxy-3-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)butanamide;3-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)butanamide;2-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)propanamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)cyclopropanecarboxamide;N-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)cyclopropanecarboxamide;2-methylpropyl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate;propan-2-yl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate;3,3,3-trifluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)propanamide.
| Compound Name | tert-butyl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate;2-cyclopropyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)acetamide;2-hydroxy-3-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)butanamide;3-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)butanamide;2-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)propanamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)cyclopropanecarboxamide;N-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)cyclopropanecarboxamide;2-methylpropyl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate;propan-2-yl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate;3,3,3-trifluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)propanamide |
|---|---|
| PubChem CID | 157198358 |
| Molecular Formula | C133H257F3N20O14 |
| Molecular Weight | 2417.64 g/mol |
| Exact Mass | 2416.00 |
| IUPAC Name | tert-butyl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate;2-cyclopropyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)acetamide;2-hydroxy-3-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)butanamide;3-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)butanamide;2-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)propanamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)cyclopropanecarboxamide;N-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)cyclopropanecarboxamide;2-methylpropyl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate;propan-2-yl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate;3,3,3-trifluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)propanamide |
| SMILES | CC(C)C(=O)NC1(C)CCN(C(C)C)CC1.CC(C)C(O)C(=O)NC1(C)CCN(C(C)C)CC1.CC(C)CC(=O)NC1(C)CCN(C(C)C)CC1.CC(C)COC(=O)NC1(C)CCN(C(C)C)CC1.CC(C)N1CCC(C)(NC(=O)C2CC2)C1.CC(C)N1CCC(C)(NC(=O)C2CC2)CC1.CC(C)N1CCC(C)(NC(=O)CC(F)(F)F)CC1.CC(C)N1CCC(C)(NC(=O)CC2CC2)CC1.CC(C)N1CCC(C)(NC(=O)OC(C)(C)C)CC1.CC(C)OC(=O)NC1(C)CCN(C(C)C)CC1 |
| InChI | InChI=1S/3C14H28N2O2.C14H26N2O.C14H28N2O.C13H26N2O2.C13H24N2O.C13H26N2O.C12H21F3N2O.C12H22N2O/c1-11(2)16-9-7-14(6,8-10-16)15-12(17)18-13(3,4)5;1-11(2)10-18-13(17)15-14(5)6-8-16(9-7-14)12(3)4;1-10(2)12(17)13(18)15-14(5)6-8-16(9-7-14)11(3)4;1-11(2)16-8-6-14(3,7-9-16)15-13(17)10-12-4-5-12;1-11(2)10-13(17)15-14(5)6-8-16(9-7-14)12(3)4;1-10(2)15-8-6-13(5,7-9-15)14-12(16)17-11(3)4;1-10(2)15-8-6-13(3,7-9-15)14-12(16)11-4-5-11;1-10(2)12(16)14-13(5)6-8-15(9-7-13)11(3)4;1-9(2)17-6-4-11(3,5-7-17)16-10(18)8-12(13,14)15;1-9(2)14-7-6-12(3,8-14)13-11(15)10-4-5-10/h11H,7-10H2,1-6H3,(H,15,17);11-12H,6-10H2,1-5H3,(H,15,17);10-12,17H,6-9H2,1-5H3,(H,15,18);11-12H,4-10H2,1-3H3,(H,15,17);11-12H,6-10H2,1-5H3,(H,15,17);10-11H,6-9H2,1-5H3,(H,14,16);10-11H,4-9H2,1-3H3,(H,14,16);10-11H,6-9H2,1-5H3,(H,14,16);9H,4-8H2,1-3H3,(H,16,18);9-10H,4-8H2,1-3H3,(H,13,15) |
| InChIKey | AQMXBGGBZVDOCE-UHFFFAOYSA-N |
| XLogP | 21.25 |
| TPSA | 371.32 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 33 |
| Heavy Atoms | 170 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2417.64 |
| LogP ≤ 5 | 21.25 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 24 |
| Structural Alerts | {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'} |
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