4-[3-[4-(cyclobutylmethoxy)piperidin-1-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;bis(4-[3-[3-(cyclopropylmethoxy)-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;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;fluoromethane;methane

C133H194FN13O18 — CID 157242829

About 4-[3-[4-(cyclobutylmethoxy)piperidin-1-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;bis(4-[3-[3-(cyclopropylmethoxy)-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;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;fluoromethane;methane

4-[3-[4-(cyclobutylmethoxy)piperidin-1-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;bis(4-[3-[3-(cyclopropylmethoxy)-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;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;fluoromethane;methane (PubChem CID 157242829) has the molecular formula C133H194FN13O18 and a molecular weight of 2282.09 g/mol. Its IUPAC name is 4-[3-[4-(cyclobutylmethoxy)piperidin-1-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;bis(4-[3-[3-(cyclopropylmethoxy)-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;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;fluoromethane;methane.

Molecular Properties

• Compound Name: 4-[3-[4-(cyclobutylmethoxy)piperidin-1-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;bis(4-[3-[3-(cyclopropylmethoxy)-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;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;fluoromethane;methane
• PubChem CID: 157242829
• Molecular Formula: C133H194FN13O18
• Molecular Weight: 2282.09 g/mol
• Exact Mass: 2280.46
• IUPAC Name: 4-[3-[4-(cyclobutylmethoxy)piperidin-1-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;bis(4-[3-[3-(cyclopropylmethoxy)-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;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;fluoromethane;methane
• SMILES: C.C.CC(CN1C(=O)COc2ccccc21)CN1C2CCC1CC(OCC1CC1)C2.CC(CN1C(=O)COc2ccccc21)CN1C2CCC1CC(OCC1CC1)C2.CC(CN1CCC(OCC2CC2)CC1)CN1C(=O)COc2ccccc21.CC(CN1CCC(OCC2CCC2)CC1)CN1C(=O)COc2ccccc21.CCON=C1CC2CCC(C1)N2CC(C)CN1C(=O)COc2ccccc21.CF.O=C1COc2ccccc2N1CCCN1CCC(OCC2CC2)CC1
• InChI: InChI=1S/2C23H32N2O3.C22H32N2O3.C21H29N3O3.C21H30N2O3.C20H28N2O3.CH3F.2CH4/c2*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;1-17(14-24-20-7-2-3-8-21(20)27-16-22(24)25)13-23-11-9-19(10-12-23)26-15-18-5-4-6-18;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;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;1-2;;/h2*2-5,16-20H,6-15H2,1H3;2-3,7-8,17-19H,4-6,9-16H2,1H3;4-7,15,17-18H,3,8-14H2,1-2H3;2-5,16-18H,6-15H2,1H3;1-2,4-5,16-17H,3,6-15H2;1H3;2*1H4
• InChIKey: AVKGDDJJGWBPRS-UHFFFAOYSA-N
• XLogP: 20.83
• TPSA: 264.42 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 41
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2282.09
LogP ≤ 5	20.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

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-[4-(cyclobutylmethoxy)piperidin-1-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;bis(4-[3-[3-(cyclopropylmethoxy)-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;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;fluoromethane;methane?

The IUPAC name of 4-[3-[4-(cyclobutylmethoxy)piperidin-1-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;bis(4-[3-[3-(cyclopropylmethoxy)-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;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;fluoromethane;methane (CID 157242829) is 4-[3-[4-(cyclobutylmethoxy)piperidin-1-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;bis(4-[3-[3-(cyclopropylmethoxy)-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;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;fluoromethane;methane.

What is the SMILES notation for 4-[3-[4-(cyclobutylmethoxy)piperidin-1-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;bis(4-[3-[3-(cyclopropylmethoxy)-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;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;fluoromethane;methane?

The canonical SMILES for 4-[3-[4-(cyclobutylmethoxy)piperidin-1-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;bis(4-[3-[3-(cyclopropylmethoxy)-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;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;fluoromethane;methane is C.C.CC(CN1C(=O)COc2ccccc21)CN1C2CCC1CC(OCC1CC1)C2.CC(CN1C(=O)COc2ccccc21)CN1C2CCC1CC(OCC1CC1)C2.CC(CN1CCC(OCC2CC2)CC1)CN1C(=O)COc2ccccc21.CC(CN1CCC(OCC2CCC2)CC1)CN1C(=O)COc2ccccc21.CCON=C1CC2CCC(C1)N2CC(C)CN1C(=O)COc2ccccc21.CF.O=C1COc2ccccc2N1CCCN1CCC(OCC2CC2)CC1.

What is the InChIKey of 4-[3-[4-(cyclobutylmethoxy)piperidin-1-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;bis(4-[3-[3-(cyclopropylmethoxy)-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;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;fluoromethane;methane?

The InChIKey is AVKGDDJJGWBPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H32N2O3.C22H32N2O3.C21H29N3O3.C21H30N2O3.C20H28N2O3.CH3F.2CH4/c2*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;1-17(14-24-20-7-2-3-8-21(20)27-16-22(24)25)13-23-11-9-19(10-12-23)26-15-18-5-4-6-18;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;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;1-2;;/h2*2-5,16-20H,6-15H2,1H3;2-3,7-8,17-19H,4-6,9-16H2,1H3;4-7,15,17-18H,3,8-14H2,1-2H3;2-5,16-18H,6-15H2,1H3;1-2,4-5,16-17H,3,6-15H2;1H3;2*1H4.

What are the key properties of 4-[3-[4-(cyclobutylmethoxy)piperidin-1-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;bis(4-[3-[3-(cyclopropylmethoxy)-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;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;fluoromethane;methane?

4-[3-[4-(cyclobutylmethoxy)piperidin-1-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;bis(4-[3-[3-(cyclopropylmethoxy)-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;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;fluoromethane;methane has a molecular weight of 2282.09 g/mol, XLogP of 20.83, 41 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[4-(cyclobutylmethoxy)piperidin-1-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;bis(4-[3-[3-(cyclopropylmethoxy)-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;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;fluoromethane;methane is sourced from PubChem (CID 157242829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).