4-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;4-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-1,4-benzoxazin-3-one;4-[3-[3-(cyclopropylmethoxyimino)-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]propyl]-1,4-benzoxazin-3-one;4-[3-(3-ethoxyimino-8-azabicyclo[3.2.1]octan-8-yl)-2-methylpropyl]-1,4-benzoxazin-3-one;methane

C133H191FN14O19 — CID 157400496

About 4-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;4-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-1,4-benzoxazin-3-one;4-[3-[3-(cyclopropylmethoxyimino)-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]propyl]-1,4-benzoxazin-3-one;4-[3-(3-ethoxyimino-8-azabicyclo[3.2.1]octan-8-yl)-2-methylpropyl]-1,4-benzoxazin-3-one;methane

4-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;4-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-1,4-benzoxazin-3-one;4-[3-[3-(cyclopropylmethoxyimino)-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]propyl]-1,4-benzoxazin-3-one;4-[3-(3-ethoxyimino-8-azabicyclo[3.2.1]octan-8-yl)-2-methylpropyl]-1,4-benzoxazin-3-one;methane (PubChem CID 157400496) has the molecular formula C133H191FN14O19 and a molecular weight of 2309.07 g/mol. Its IUPAC name is 4-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;4-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-1,4-benzoxazin-3-one;4-[3-[3-(cyclopropylmethoxyimino)-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]propyl]-1,4-benzoxazin-3-one;4-[3-(3-ethoxyimino-8-azabicyclo[3.2.1]octan-8-yl)-2-methylpropyl]-1,4-benzoxazin-3-one;methane.

Molecular Properties

• Compound Name: 4-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;4-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-1,4-benzoxazin-3-one;4-[3-[3-(cyclopropylmethoxyimino)-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]propyl]-1,4-benzoxazin-3-one;4-[3-(3-ethoxyimino-8-azabicyclo[3.2.1]octan-8-yl)-2-methylpropyl]-1,4-benzoxazin-3-one;methane
• PubChem CID: 157400496
• Molecular Formula: C133H191FN14O19
• Molecular Weight: 2309.07 g/mol
• Exact Mass: 2307.44
• IUPAC Name: 4-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;4-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-1,4-benzoxazin-3-one;4-[3-[3-(cyclopropylmethoxyimino)-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]propyl]-1,4-benzoxazin-3-one;4-[3-(3-ethoxyimino-8-azabicyclo[3.2.1]octan-8-yl)-2-methylpropyl]-1,4-benzoxazin-3-one;methane
• SMILES: C.C.C.CC(CN1C(=O)COc2ccccc21)CN1C2CCC1CC(=NOCC1CC1)C2.CC(CN1C(=O)COc2ccccc21)CN1C2CCC1CC(OCC1CC1)C2.CCON=C1CC2CCC(C1)N2CC(C)CN1C(=O)COc2ccccc21.COC(CN1CCC(OCC2CC2)CC1)CN1C(=O)COc2cc(F)ccc21.O=C1COc2ccccc2N1CCCN1C2CCC1CC(OCC1CC1)C2.O=C1COc2ccccc2N1CCCN1CCC(OCC2CC2)CC1
• InChI: InChI=1S/C23H31N3O3.C23H32N2O3.C22H30N2O3.C21H29FN2O4.C21H29N3O3.C20H28N2O3.3CH4/c1-16(13-26-21-4-2-3-5-22(21)28-15-23(26)27)12-25-19-8-9-20(25)11-18(10-19)24-29-14-17-6-7-17;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;25-22-15-27-21-5-2-1-4-20(21)24(22)11-3-10-23-17-8-9-18(23)13-19(12-17)26-14-16-6-7-16;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;23-20-15-25-19-5-2-1-4-18(19)22(20)11-3-10-21-12-8-17(9-13-21)24-14-16-6-7-16;;;/h2-5,16-17,19-20H,6-15H2,1H3;2-5,16-20H,6-15H2,1H3;1-2,4-5,16-19H,3,6-15H2;4-5,10,15,17-18H,2-3,6-9,11-14H2,1H3;4-7,15,17-18H,3,8-14H2,1-2H3;1-2,4-5,16-17H,3,6-15H2;3*1H4
• InChIKey: BNCDFMIKZIPOTI-UHFFFAOYSA-N
• XLogP: 20.28
• TPSA: 286.01 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 42
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2309.07
LogP ≤ 5	20.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;4-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-1,4-benzoxazin-3-one;4-[3-[3-(cyclopropylmethoxyimino)-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]propyl]-1,4-benzoxazin-3-one;4-[3-(3-ethoxyimino-8-azabicyclo[3.2.1]octan-8-yl)-2-methylpropyl]-1,4-benzoxazin-3-one;methane?

The IUPAC name of 4-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;4-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-1,4-benzoxazin-3-one;4-[3-[3-(cyclopropylmethoxyimino)-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]propyl]-1,4-benzoxazin-3-one;4-[3-(3-ethoxyimino-8-azabicyclo[3.2.1]octan-8-yl)-2-methylpropyl]-1,4-benzoxazin-3-one;methane (CID 157400496) is 4-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;4-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-1,4-benzoxazin-3-one;4-[3-[3-(cyclopropylmethoxyimino)-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]propyl]-1,4-benzoxazin-3-one;4-[3-(3-ethoxyimino-8-azabicyclo[3.2.1]octan-8-yl)-2-methylpropyl]-1,4-benzoxazin-3-one;methane.

What is the SMILES notation for 4-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;4-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-1,4-benzoxazin-3-one;4-[3-[3-(cyclopropylmethoxyimino)-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]propyl]-1,4-benzoxazin-3-one;4-[3-(3-ethoxyimino-8-azabicyclo[3.2.1]octan-8-yl)-2-methylpropyl]-1,4-benzoxazin-3-one;methane?

The canonical SMILES for 4-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;4-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-1,4-benzoxazin-3-one;4-[3-[3-(cyclopropylmethoxyimino)-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]propyl]-1,4-benzoxazin-3-one;4-[3-(3-ethoxyimino-8-azabicyclo[3.2.1]octan-8-yl)-2-methylpropyl]-1,4-benzoxazin-3-one;methane is C.C.C.CC(CN1C(=O)COc2ccccc21)CN1C2CCC1CC(=NOCC1CC1)C2.CC(CN1C(=O)COc2ccccc21)CN1C2CCC1CC(OCC1CC1)C2.CCON=C1CC2CCC(C1)N2CC(C)CN1C(=O)COc2ccccc21.COC(CN1CCC(OCC2CC2)CC1)CN1C(=O)COc2cc(F)ccc21.O=C1COc2ccccc2N1CCCN1C2CCC1CC(OCC1CC1)C2.O=C1COc2ccccc2N1CCCN1CCC(OCC2CC2)CC1.

What is the InChIKey of 4-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;4-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-1,4-benzoxazin-3-one;4-[3-[3-(cyclopropylmethoxyimino)-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]propyl]-1,4-benzoxazin-3-one;4-[3-(3-ethoxyimino-8-azabicyclo[3.2.1]octan-8-yl)-2-methylpropyl]-1,4-benzoxazin-3-one;methane?

The InChIKey is BNCDFMIKZIPOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3.C23H32N2O3.C22H30N2O3.C21H29FN2O4.C21H29N3O3.C20H28N2O3.3CH4/c1-16(13-26-21-4-2-3-5-22(21)28-15-23(26)27)12-25-19-8-9-20(25)11-18(10-19)24-29-14-17-6-7-17;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;25-22-15-27-21-5-2-1-4-20(21)24(22)11-3-10-23-17-8-9-18(23)13-19(12-17)26-14-16-6-7-16;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;23-20-15-25-19-5-2-1-4-18(19)22(20)11-3-10-21-12-8-17(9-13-21)24-14-16-6-7-16;;;/h2-5,16-17,19-20H,6-15H2,1H3;2-5,16-20H,6-15H2,1H3;1-2,4-5,16-19H,3,6-15H2;4-5,10,15,17-18H,2-3,6-9,11-14H2,1H3;4-7,15,17-18H,3,8-14H2,1-2H3;1-2,4-5,16-17H,3,6-15H2;3*1H4.

What are the key properties of 4-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;4-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-1,4-benzoxazin-3-one;4-[3-[3-(cyclopropylmethoxyimino)-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]propyl]-1,4-benzoxazin-3-one;4-[3-(3-ethoxyimino-8-azabicyclo[3.2.1]octan-8-yl)-2-methylpropyl]-1,4-benzoxazin-3-one;methane?

4-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;4-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-1,4-benzoxazin-3-one;4-[3-[3-(cyclopropylmethoxyimino)-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]propyl]-1,4-benzoxazin-3-one;4-[3-(3-ethoxyimino-8-azabicyclo[3.2.1]octan-8-yl)-2-methylpropyl]-1,4-benzoxazin-3-one;methane has a molecular weight of 2309.07 g/mol, XLogP of 20.28, 42 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;4-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-1,4-benzoxazin-3-one;4-[3-[3-(cyclopropylmethoxyimino)-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]propyl]-1,4-benzoxazin-3-one;4-[3-(3-ethoxyimino-8-azabicyclo[3.2.1]octan-8-yl)-2-methylpropyl]-1,4-benzoxazin-3-one;methane is sourced from PubChem (CID 157400496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).