4-[(2R)-3-(3-butyl-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-methylpropyl]-1,4-benzoxazin-3-one;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-[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-methylpropyl]-1,4-benzoxazin-3-one;7-fluoro-4-[3-[4-(3,3,4,4-tetrafluorobutyl)piperidin-1-yl]propyl]-1,4-benzoxazin-3-one;7-fluoro-4-[3-[4-(2,2,2-trifluoroethoxymethyl)piperidin-1-yl]propyl]-1,4-benzoxazin-3-one;methane

C155H215F11N14O22 — CID 158478307

About 4-[(2R)-3-(3-butyl-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-methylpropyl]-1,4-benzoxazin-3-one;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-[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-methylpropyl]-1,4-benzoxazin-3-one;7-fluoro-4-[3-[4-(3,3,4,4-tetrafluorobutyl)piperidin-1-yl]propyl]-1,4-benzoxazin-3-one;7-fluoro-4-[3-[4-(2,2,2-trifluoroethoxymethyl)piperidin-1-yl]propyl]-1,4-benzoxazin-3-one;methane

4-[(2R)-3-(3-butyl-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-methylpropyl]-1,4-benzoxazin-3-one;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-[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-methylpropyl]-1,4-benzoxazin-3-one;7-fluoro-4-[3-[4-(3,3,4,4-tetrafluorobutyl)piperidin-1-yl]propyl]-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 158478307) has the molecular formula C155H215F11N14O22 and a molecular weight of 2835.48 g/mol. Its IUPAC name is 4-[(2R)-3-(3-butyl-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-methylpropyl]-1,4-benzoxazin-3-one;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-[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-methylpropyl]-1,4-benzoxazin-3-one;7-fluoro-4-[3-[4-(3,3,4,4-tetrafluorobutyl)piperidin-1-yl]propyl]-1,4-benzoxazin-3-one;7-fluoro-4-[3-[4-(2,2,2-trifluoroethoxymethyl)piperidin-1-yl]propyl]-1,4-benzoxazin-3-one;methane.

Molecular Properties

• Compound Name: 4-[(2R)-3-(3-butyl-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-methylpropyl]-1,4-benzoxazin-3-one;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-[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-methylpropyl]-1,4-benzoxazin-3-one;7-fluoro-4-[3-[4-(3,3,4,4-tetrafluorobutyl)piperidin-1-yl]propyl]-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: 158478307
• Molecular Formula: C155H215F11N14O22
• Molecular Weight: 2835.48 g/mol
• Exact Mass: 2833.60
• IUPAC Name: 4-[(2R)-3-(3-butyl-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-methylpropyl]-1,4-benzoxazin-3-one;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-[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-methylpropyl]-1,4-benzoxazin-3-one;7-fluoro-4-[3-[4-(3,3,4,4-tetrafluorobutyl)piperidin-1-yl]propyl]-1,4-benzoxazin-3-one;7-fluoro-4-[3-[4-(2,2,2-trifluoroethoxymethyl)piperidin-1-yl]propyl]-1,4-benzoxazin-3-one;methane
• SMILES: C.CC(CN1C(=O)COc2ccccc21)CN1C2CCC1CC(=CCOCC1CC1)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.CCCCC1(O)CC2CCC(C1)N2C[C@@H](C)CN1C(=O)COc2ccccc21.O=C1COc2cc(F)ccc2N1CCCN1CCC(CCC(F)(F)C(F)F)CC1.O=C1COc2cc(F)ccc2N1CCCN1CCC(COCC(F)(F)F)CC1
• InChI: InChI=1S/C25H34N2O3.C24H33FN2O5.C23H34N2O3.C22H31FN2O3.C21H30N2O3.C20H25F5N2O2.C19H24F4N2O3.CH4/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;1-3-4-11-23(27)12-18-9-10-19(13-23)24(18)14-17(2)15-25-20-7-5-6-8-21(20)28-16-22(25)26;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;1-16(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;21-15-2-3-16-17(12-15)29-13-18(28)27(16)9-1-8-26-10-5-14(6-11-26)4-7-20(24,25)19(22)23;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;5-8,17-19,27H,3-4,9-16H2,1-2H3;5-6,11,16-17,19H,2-4,7-10,12-15H2,1H3;2-5,16-18H,6-15H2,1H3;2-3,12,14,19H,1,4-11,13H2;2-3,10,14H,1,4-9,11-13H2;1H4/t;;17-,18?,19?,23?;;;;;/m..1...../s1
• InChIKey: HHFCDUPBGCTUHN-RXTBPTAPSA-N
• XLogP: 26.23
• TPSA: 322.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 29
• Rotatable Bonds: 52
• Heavy Atoms: 202
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2835.48
LogP ≤ 5	26.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-3-(3-butyl-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-methylpropyl]-1,4-benzoxazin-3-one;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-[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-methylpropyl]-1,4-benzoxazin-3-one;7-fluoro-4-[3-[4-(3,3,4,4-tetrafluorobutyl)piperidin-1-yl]propyl]-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 4-[(2R)-3-(3-butyl-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-methylpropyl]-1,4-benzoxazin-3-one;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-[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-methylpropyl]-1,4-benzoxazin-3-one;7-fluoro-4-[3-[4-(3,3,4,4-tetrafluorobutyl)piperidin-1-yl]propyl]-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 158478307) is 4-[(2R)-3-(3-butyl-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-methylpropyl]-1,4-benzoxazin-3-one;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-[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-methylpropyl]-1,4-benzoxazin-3-one;7-fluoro-4-[3-[4-(3,3,4,4-tetrafluorobutyl)piperidin-1-yl]propyl]-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 4-[(2R)-3-(3-butyl-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-methylpropyl]-1,4-benzoxazin-3-one;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-[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-methylpropyl]-1,4-benzoxazin-3-one;7-fluoro-4-[3-[4-(3,3,4,4-tetrafluorobutyl)piperidin-1-yl]propyl]-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 4-[(2R)-3-(3-butyl-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-methylpropyl]-1,4-benzoxazin-3-one;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-[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-methylpropyl]-1,4-benzoxazin-3-one;7-fluoro-4-[3-[4-(3,3,4,4-tetrafluorobutyl)piperidin-1-yl]propyl]-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.CC(CN1C(=O)COc2ccccc21)CN1C2CCC1CC(=CCOCC1CC1)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.CCCCC1(O)CC2CCC(C1)N2C[C@@H](C)CN1C(=O)COc2ccccc21.O=C1COc2cc(F)ccc2N1CCCN1CCC(CCC(F)(F)C(F)F)CC1.O=C1COc2cc(F)ccc2N1CCCN1CCC(COCC(F)(F)F)CC1.

What is the InChIKey of 4-[(2R)-3-(3-butyl-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-methylpropyl]-1,4-benzoxazin-3-one;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-[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-methylpropyl]-1,4-benzoxazin-3-one;7-fluoro-4-[3-[4-(3,3,4,4-tetrafluorobutyl)piperidin-1-yl]propyl]-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 HHFCDUPBGCTUHN-RXTBPTAPSA-N. The full InChI is InChI=1S/C25H34N2O3.C24H33FN2O5.C23H34N2O3.C22H31FN2O3.C21H30N2O3.C20H25F5N2O2.C19H24F4N2O3.CH4/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;1-3-4-11-23(27)12-18-9-10-19(13-23)24(18)14-17(2)15-25-20-7-5-6-8-21(20)28-16-22(25)26;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;1-16(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;21-15-2-3-16-17(12-15)29-13-18(28)27(16)9-1-8-26-10-5-14(6-11-26)4-7-20(24,25)19(22)23;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;5-8,17-19,27H,3-4,9-16H2,1-2H3;5-6,11,16-17,19H,2-4,7-10,12-15H2,1H3;2-5,16-18H,6-15H2,1H3;2-3,12,14,19H,1,4-11,13H2;2-3,10,14H,1,4-9,11-13H2;1H4/t;;17-,18?,19?,23?;;;;;/m..1...../s1.

What are the key properties of 4-[(2R)-3-(3-butyl-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-methylpropyl]-1,4-benzoxazin-3-one;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-[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-methylpropyl]-1,4-benzoxazin-3-one;7-fluoro-4-[3-[4-(3,3,4,4-tetrafluorobutyl)piperidin-1-yl]propyl]-1,4-benzoxazin-3-one;7-fluoro-4-[3-[4-(2,2,2-trifluoroethoxymethyl)piperidin-1-yl]propyl]-1,4-benzoxazin-3-one;methane?

4-[(2R)-3-(3-butyl-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-methylpropyl]-1,4-benzoxazin-3-one;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-[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-methylpropyl]-1,4-benzoxazin-3-one;7-fluoro-4-[3-[4-(3,3,4,4-tetrafluorobutyl)piperidin-1-yl]propyl]-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 2835.48 g/mol, XLogP of 26.23, 52 rotatable bonds, 1 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(2R)-3-(3-butyl-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-methylpropyl]-1,4-benzoxazin-3-one;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-[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-methylpropyl]-1,4-benzoxazin-3-one;7-fluoro-4-[3-[4-(3,3,4,4-tetrafluorobutyl)piperidin-1-yl]propyl]-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 158478307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).