About 2-cyclobutylethyl [1-[3-(7-fluoro-3-oxo-1,4-benzoxazin-4-yl)-2-methylpropyl]piperidin-4-yl] carbonate;4-[3-[4-(cyclobutylmethoxy)piperidin-1-yl]-2-methylpropyl]-7-fluoro-1,4-benzoxazin-3-one;4-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;4-[3-[3-[2-(cyclopropylmethoxy)ethylidene]-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;4-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]-2-methoxypropyl]-7-fluoro-1,4-benzoxazin-3-one;4-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;4-[3-(3-ethoxyimino-8-azabicyclo[3.2.1]octan-8-yl)-2-methylpropyl]-1,4-benzoxazin-3-one;7-fluoro-4-[3-[4-(2,2,2-trifluoroethoxymethyl)piperidin-1-yl]propyl]-1,4-benzoxazin-3-one;methane
2-cyclobutylethyl [1-[3-(7-fluoro-3-oxo-1,4-benzoxazin-4-yl)-2-methylpropyl]piperidin-4-yl] carbonate;4-[3-[4-(cyclobutylmethoxy)piperidin-1-yl]-2-methylpropyl]-7-fluoro-1,4-benzoxazin-3-one;4-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;4-[3-[3-[2-(cyclopropylmethoxy)ethylidene]-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;4-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]-2-methoxypropyl]-7-fluoro-1,4-benzoxazin-3-one;4-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;4-[3-(3-ethoxyimino-8-azabicyclo[3.2.1]octan-8-yl)-2-methylpropyl]-1,4-benzoxazin-3-one;7-fluoro-4-[3-[4-(2,2,2-trifluoroethoxymethyl)piperidin-1-yl]propyl]-1,4-benzoxazin-3-one;methane (PubChem CID 158915706) has the molecular formula C178H250F7N17O27
and a molecular weight of 3193.04 g/mol. Its IUPAC name is 2-cyclobutylethyl [1-[3-(7-fluoro-3-oxo-1,4-benzoxazin-4-yl)-2-methylpropyl]piperidin-4-yl] carbonate;4-[3-[4-(cyclobutylmethoxy)piperidin-1-yl]-2-methylpropyl]-7-fluoro-1,4-benzoxazin-3-one;4-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;4-[3-[3-[2-(cyclopropylmethoxy)ethylidene]-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;4-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]-2-methoxypropyl]-7-fluoro-1,4-benzoxazin-3-one;4-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;4-[3-(3-ethoxyimino-8-azabicyclo[3.2.1]octan-8-yl)-2-methylpropyl]-1,4-benzoxazin-3-one;7-fluoro-4-[3-[4-(2,2,2-trifluoroethoxymethyl)piperidin-1-yl]propyl]-1,4-benzoxazin-3-one;methane.
Frequently Asked Questions
What is the IUPAC name of 2-cyclobutylethyl [1-[3-(7-fluoro-3-oxo-1,4-benzoxazin-4-yl)-2-methylpropyl]piperidin-4-yl] carbonate;4-[3-[4-(cyclobutylmethoxy)piperidin-1-yl]-2-methylpropyl]-7-fluoro-1,4-benzoxazin-3-one;4-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;4-[3-[3-[2-(cyclopropylmethoxy)ethylidene]-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;4-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]-2-methoxypropyl]-7-fluoro-1,4-benzoxazin-3-one;4-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;4-[3-(3-ethoxyimino-8-azabicyclo[3.2.1]octan-8-yl)-2-methylpropyl]-1,4-benzoxazin-3-one;7-fluoro-4-[3-[4-(2,2,2-trifluoroethoxymethyl)piperidin-1-yl]propyl]-1,4-benzoxazin-3-one;methane?
The IUPAC name of 2-cyclobutylethyl [1-[3-(7-fluoro-3-oxo-1,4-benzoxazin-4-yl)-2-methylpropyl]piperidin-4-yl] carbonate;4-[3-[4-(cyclobutylmethoxy)piperidin-1-yl]-2-methylpropyl]-7-fluoro-1,4-benzoxazin-3-one;4-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;4-[3-[3-[2-(cyclopropylmethoxy)ethylidene]-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;4-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]-2-methoxypropyl]-7-fluoro-1,4-benzoxazin-3-one;4-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;4-[3-(3-ethoxyimino-8-azabicyclo[3.2.1]octan-8-yl)-2-methylpropyl]-1,4-benzoxazin-3-one;7-fluoro-4-[3-[4-(2,2,2-trifluoroethoxymethyl)piperidin-1-yl]propyl]-1,4-benzoxazin-3-one;methane (CID 158915706) is 2-cyclobutylethyl [1-[3-(7-fluoro-3-oxo-1,4-benzoxazin-4-yl)-2-methylpropyl]piperidin-4-yl] carbonate;4-[3-[4-(cyclobutylmethoxy)piperidin-1-yl]-2-methylpropyl]-7-fluoro-1,4-benzoxazin-3-one;4-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;4-[3-[3-[2-(cyclopropylmethoxy)ethylidene]-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;4-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]-2-methoxypropyl]-7-fluoro-1,4-benzoxazin-3-one;4-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;4-[3-(3-ethoxyimino-8-azabicyclo[3.2.1]octan-8-yl)-2-methylpropyl]-1,4-benzoxazin-3-one;7-fluoro-4-[3-[4-(2,2,2-trifluoroethoxymethyl)piperidin-1-yl]propyl]-1,4-benzoxazin-3-one;methane.
What is the SMILES notation for 2-cyclobutylethyl [1-[3-(7-fluoro-3-oxo-1,4-benzoxazin-4-yl)-2-methylpropyl]piperidin-4-yl] carbonate;4-[3-[4-(cyclobutylmethoxy)piperidin-1-yl]-2-methylpropyl]-7-fluoro-1,4-benzoxazin-3-one;4-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;4-[3-[3-[2-(cyclopropylmethoxy)ethylidene]-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;4-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]-2-methoxypropyl]-7-fluoro-1,4-benzoxazin-3-one;4-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;4-[3-(3-ethoxyimino-8-azabicyclo[3.2.1]octan-8-yl)-2-methylpropyl]-1,4-benzoxazin-3-one;7-fluoro-4-[3-[4-(2,2,2-trifluoroethoxymethyl)piperidin-1-yl]propyl]-1,4-benzoxazin-3-one;methane?
The canonical SMILES for 2-cyclobutylethyl [1-[3-(7-fluoro-3-oxo-1,4-benzoxazin-4-yl)-2-methylpropyl]piperidin-4-yl] carbonate;4-[3-[4-(cyclobutylmethoxy)piperidin-1-yl]-2-methylpropyl]-7-fluoro-1,4-benzoxazin-3-one;4-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;4-[3-[3-[2-(cyclopropylmethoxy)ethylidene]-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;4-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]-2-methoxypropyl]-7-fluoro-1,4-benzoxazin-3-one;4-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;4-[3-(3-ethoxyimino-8-azabicyclo[3.2.1]octan-8-yl)-2-methylpropyl]-1,4-benzoxazin-3-one;7-fluoro-4-[3-[4-(2,2,2-trifluoroethoxymethyl)piperidin-1-yl]propyl]-1,4-benzoxazin-3-one;methane is C.C.CC(CN1C(=O)COc2ccccc21)CN1C2CCC1CC(=CCOCC1CC1)C2.CC(CN1C(=O)COc2ccccc21)CN1C2CCC1CC(OCC1CC1)C2.CC(CN1CCC(OC(=O)OCCC2CCC2)CC1)CN1C(=O)COc2cc(F)ccc21.CC(CN1CCC(OCC2CC2)CC1)CN1C(=O)COc2ccccc21.CC(CN1CCC(OCC2CCC2)CC1)CN1C(=O)COc2cc(F)ccc21.CCON=C1CC2CCC(C1)N2CC(C)CN1C(=O)COc2ccccc21.COC(CN1CCC(OCC2CC2)CC1)CN1C(=O)COc2cc(F)ccc21.O=C1COc2cc(F)ccc2N1CCCN1CCC(COCC(F)(F)F)CC1.
What is the InChIKey of 2-cyclobutylethyl [1-[3-(7-fluoro-3-oxo-1,4-benzoxazin-4-yl)-2-methylpropyl]piperidin-4-yl] carbonate;4-[3-[4-(cyclobutylmethoxy)piperidin-1-yl]-2-methylpropyl]-7-fluoro-1,4-benzoxazin-3-one;4-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;4-[3-[3-[2-(cyclopropylmethoxy)ethylidene]-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;4-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]-2-methoxypropyl]-7-fluoro-1,4-benzoxazin-3-one;4-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;4-[3-(3-ethoxyimino-8-azabicyclo[3.2.1]octan-8-yl)-2-methylpropyl]-1,4-benzoxazin-3-one;7-fluoro-4-[3-[4-(2,2,2-trifluoroethoxymethyl)piperidin-1-yl]propyl]-1,4-benzoxazin-3-one;methane?
The InChIKey is JHEWGFKZNBXQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O3.C24H33FN2O5.C23H32N2O3.C22H31FN2O3.C21H29FN2O4.C21H29N3O3.C21H30N2O3.C19H24F4N2O3.2CH4/c1-18(15-27-23-4-2-3-5-24(23)30-17-25(27)28)14-26-21-8-9-22(26)13-20(12-21)10-11-29-16-19-6-7-19;1-17(15-27-21-6-5-19(25)13-22(21)31-16-23(27)28)14-26-10-7-20(8-11-26)32-24(29)30-12-9-18-3-2-4-18;1-16(13-25-21-4-2-3-5-22(21)28-15-23(25)26)12-24-18-8-9-19(24)11-20(10-18)27-14-17-6-7-17;1-16(12-24-9-7-19(8-10-24)27-14-17-3-2-4-17)13-25-20-6-5-18(23)11-21(20)28-15-22(25)26;1-26-18(11-23-8-6-17(7-9-23)27-13-15-2-3-15)12-24-19-5-4-16(22)10-20(19)28-14-21(24)25;1-3-27-22-16-10-17-8-9-18(11-16)23(17)12-15(2)13-24-19-6-4-5-7-20(19)26-14-21(24)25;1-16(12-22-10-8-18(9-11-22)25-14-17-6-7-17)13-23-19-4-2-3-5-20(19)26-15-21(23)24;20-15-2-3-16-17(10-15)28-12-18(26)25(16)7-1-6-24-8-4-14(5-9-24)11-27-13-19(21,22)23;;/h2-5,10,18-19,21-22H,6-9,11-17H2,1H3;5-6,13,17-18,20H,2-4,7-12,14-16H2,1H3;2-5,16-20H,6-15H2,1H3;5-6,11,16-17,19H,2-4,7-10,12-15H2,1H3;4-5,10,15,17-18H,2-3,6-9,11-14H2,1H3;4-7,15,17-18H,3,8-14H2,1-2H3;2-5,16-18H,6-15H2,1H3;2-3,10,14H,1,4-9,11-13H2;2*1H4.
What are the key properties of 2-cyclobutylethyl [1-[3-(7-fluoro-3-oxo-1,4-benzoxazin-4-yl)-2-methylpropyl]piperidin-4-yl] carbonate;4-[3-[4-(cyclobutylmethoxy)piperidin-1-yl]-2-methylpropyl]-7-fluoro-1,4-benzoxazin-3-one;4-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;4-[3-[3-[2-(cyclopropylmethoxy)ethylidene]-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;4-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]-2-methoxypropyl]-7-fluoro-1,4-benzoxazin-3-one;4-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;4-[3-(3-ethoxyimino-8-azabicyclo[3.2.1]octan-8-yl)-2-methylpropyl]-1,4-benzoxazin-3-one;7-fluoro-4-[3-[4-(2,2,2-trifluoroethoxymethyl)piperidin-1-yl]propyl]-1,4-benzoxazin-3-one;methane?
2-cyclobutylethyl [1-[3-(7-fluoro-3-oxo-1,4-benzoxazin-4-yl)-2-methylpropyl]piperidin-4-yl] carbonate;4-[3-[4-(cyclobutylmethoxy)piperidin-1-yl]-2-methylpropyl]-7-fluoro-1,4-benzoxazin-3-one;4-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;4-[3-[3-[2-(cyclopropylmethoxy)ethylidene]-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;4-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]-2-methoxypropyl]-7-fluoro-1,4-benzoxazin-3-one;4-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;4-[3-(3-ethoxyimino-8-azabicyclo[3.2.1]octan-8-yl)-2-methylpropyl]-1,4-benzoxazin-3-one;7-fluoro-4-[3-[4-(2,2,2-trifluoroethoxymethyl)piperidin-1-yl]propyl]-1,4-benzoxazin-3-one;methane has a molecular weight of 3193.04 g/mol, XLogP of 27.93, 58 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutylethyl [1-[3-(7-fluoro-3-oxo-1,4-benzoxazin-4-yl)-2-methylpropyl]piperidin-4-yl] carbonate;4-[3-[4-(cyclobutylmethoxy)piperidin-1-yl]-2-methylpropyl]-7-fluoro-1,4-benzoxazin-3-one;4-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;4-[3-[3-[2-(cyclopropylmethoxy)ethylidene]-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;4-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]-2-methoxypropyl]-7-fluoro-1,4-benzoxazin-3-one;4-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;4-[3-(3-ethoxyimino-8-azabicyclo[3.2.1]octan-8-yl)-2-methylpropyl]-1,4-benzoxazin-3-one;7-fluoro-4-[3-[4-(2,2,2-trifluoroethoxymethyl)piperidin-1-yl]propyl]-1,4-benzoxazin-3-one;methane is sourced from PubChem (CID 158915706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).