C134H216F3N11O13 — CID 157201114
1-[4-[3-(tert-butylamino)cyclobutyl]oxypiperidin-1-yl]-3-methylbutan-2-one;N-tert-butyl-3-[1-(2-methylpropyl)piperidin-4-yl]oxycyclobutan-1-amine;1-[3-fluoro-5-[3-(propan-2-ylamino)cyclobutyl]oxyphenoxy]-3-methylbutan-2-one;3-(3-fluoro-5-propan-2-ylphenoxy)-N-propan-2-ylcyclobutan-1-amine;(2R)-2-(3-fluoro-5-propan-2-ylphenoxy)-N-propan-2-ylpropan-1-amine;2-methyl-1-[6-[3-(propan-2-ylamino)cyclobutyl]oxy-1-benzofuran-2-yl]propan-1-one;N-propan-2-yl-3-(3-propan-2-ylphenoxy)cyclobutan-1-amine;N-propan-2-yl-3-[(4-propan-2-yl-2-pyridinyl)oxy]cyclobutan-1-amine (PubChem CID 157201114) has the molecular formula C134H216F3N11O13 and a molecular weight of 2246.26 g/mol. Its IUPAC name is 1-[4-[3-(tert-butylamino)cyclobutyl]oxypiperidin-1-yl]-3-methylbutan-2-one;N-tert-butyl-3-[1-(2-methylpropyl)piperidin-4-yl]oxycyclobutan-1-amine;1-[3-fluoro-5-[3-(propan-2-ylamino)cyclobutyl]oxyphenoxy]-3-methylbutan-2-one;3-(3-fluoro-5-propan-2-ylphenoxy)-N-propan-2-ylcyclobutan-1-amine;(2R)-2-(3-fluoro-5-propan-2-ylphenoxy)-N-propan-2-ylpropan-1-amine;2-methyl-1-[6-[3-(propan-2-ylamino)cyclobutyl]oxy-1-benzofuran-2-yl]propan-1-one;N-propan-2-yl-3-(3-propan-2-ylphenoxy)cyclobutan-1-amine;N-propan-2-yl-3-[(4-propan-2-yl-2-pyridinyl)oxy]cyclobutan-1-amine.
| Compound Name | 1-[4-[3-(tert-butylamino)cyclobutyl]oxypiperidin-1-yl]-3-methylbutan-2-one;N-tert-butyl-3-[1-(2-methylpropyl)piperidin-4-yl]oxycyclobutan-1-amine;1-[3-fluoro-5-[3-(propan-2-ylamino)cyclobutyl]oxyphenoxy]-3-methylbutan-2-one;3-(3-fluoro-5-propan-2-ylphenoxy)-N-propan-2-ylcyclobutan-1-amine;(2R)-2-(3-fluoro-5-propan-2-ylphenoxy)-N-propan-2-ylpropan-1-amine;2-methyl-1-[6-[3-(propan-2-ylamino)cyclobutyl]oxy-1-benzofuran-2-yl]propan-1-one;N-propan-2-yl-3-(3-propan-2-ylphenoxy)cyclobutan-1-amine;N-propan-2-yl-3-[(4-propan-2-yl-2-pyridinyl)oxy]cyclobutan-1-amine |
|---|---|
| PubChem CID | 157201114 |
| Molecular Formula | C134H216F3N11O13 |
| Molecular Weight | 2246.26 g/mol |
| Exact Mass | 2244.65 |
| IUPAC Name | 1-[4-[3-(tert-butylamino)cyclobutyl]oxypiperidin-1-yl]-3-methylbutan-2-one;N-tert-butyl-3-[1-(2-methylpropyl)piperidin-4-yl]oxycyclobutan-1-amine;1-[3-fluoro-5-[3-(propan-2-ylamino)cyclobutyl]oxyphenoxy]-3-methylbutan-2-one;3-(3-fluoro-5-propan-2-ylphenoxy)-N-propan-2-ylcyclobutan-1-amine;(2R)-2-(3-fluoro-5-propan-2-ylphenoxy)-N-propan-2-ylpropan-1-amine;2-methyl-1-[6-[3-(propan-2-ylamino)cyclobutyl]oxy-1-benzofuran-2-yl]propan-1-one;N-propan-2-yl-3-(3-propan-2-ylphenoxy)cyclobutan-1-amine;N-propan-2-yl-3-[(4-propan-2-yl-2-pyridinyl)oxy]cyclobutan-1-amine |
| SMILES | CC(C)C(=O)CN1CCC(OC2CC(NC(C)(C)C)C2)CC1.CC(C)CN1CCC(OC2CC(NC(C)(C)C)C2)CC1.CC(C)NC1CC(Oc2cc(C(C)C)ccn2)C1.CC(C)NC1CC(Oc2cc(F)cc(C(C)C)c2)C1.CC(C)NC1CC(Oc2cc(F)cc(OCC(=O)C(C)C)c2)C1.CC(C)NC1CC(Oc2ccc3cc(C(=O)C(C)C)oc3c2)C1.CC(C)NC1CC(Oc2cccc(C(C)C)c2)C1.CC(C)NC[C@@H](C)Oc1cc(F)cc(C(C)C)c1 |
| InChI | InChI=1S/C19H25NO3.C18H26FNO3.C18H34N2O2.C17H34N2O.C16H24FNO.C16H25NO.C15H24FNO.C15H24N2O/c1-11(2)19(21)18-7-13-5-6-15(10-17(13)23-18)22-16-8-14(9-16)20-12(3)4;1-11(2)18(21)10-22-15-5-13(19)6-16(9-15)23-17-7-14(8-17)20-12(3)4;1-13(2)17(21)12-20-8-6-15(7-9-20)22-16-10-14(11-16)19-18(3,4)5;1-13(2)12-19-8-6-15(7-9-19)20-16-10-14(11-16)18-17(3,4)5;1-10(2)12-5-13(17)7-15(6-12)19-16-8-14(9-16)18-11(3)4;1-11(2)13-6-5-7-15(8-13)18-16-9-14(10-16)17-12(3)4;1-10(2)13-6-14(16)8-15(7-13)18-12(5)9-17-11(3)4;1-10(2)12-5-6-16-15(7-12)18-14-8-13(9-14)17-11(3)4/h5-7,10-12,14,16,20H,8-9H2,1-4H3;5-6,9,11-12,14,17,20H,7-8,10H2,1-4H3;13-16,19H,6-12H2,1-5H3;13-16,18H,6-12H2,1-5H3;5-7,10-11,14,16,18H,8-9H2,1-4H3;5-8,11-12,14,16-17H,9-10H2,1-4H3;6-8,10-12,17H,9H2,1-5H3;5-7,10-11,13-14,17H,8-9H2,1-4H3/t;;;;;;12-;/m......1./s1 |
| InChIKey | AQUQSCGZXHTZHQ-VKLRWKIYSA-N |
| XLogP | 27.57 |
| TPSA | 263.03 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 46 |
| Heavy Atoms | 161 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2246.26 |
| LogP ≤ 5 | 27.57 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 24 |