4-[3-[4-(cyclobutylmethoxy)piperidin-1-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;1-[3-[4-(cyclobutylmethoxy)piperidin-1-yl]propyl]-6,7-difluoro-3,4-dihydroquinolin-2-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;methane

C154H221F2N15O20 — CID 159661498

About 4-[3-[4-(cyclobutylmethoxy)piperidin-1-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;1-[3-[4-(cyclobutylmethoxy)piperidin-1-yl]propyl]-6,7-difluoro-3,4-dihydroquinolin-2-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;methane

4-[3-[4-(cyclobutylmethoxy)piperidin-1-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;1-[3-[4-(cyclobutylmethoxy)piperidin-1-yl]propyl]-6,7-difluoro-3,4-dihydroquinolin-2-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;methane (PubChem CID 159661498) has the molecular formula C154H221F2N15O20 and a molecular weight of 2640.54 g/mol. Its IUPAC name is 4-[3-[4-(cyclobutylmethoxy)piperidin-1-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;1-[3-[4-(cyclobutylmethoxy)piperidin-1-yl]propyl]-6,7-difluoro-3,4-dihydroquinolin-2-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;methane.

Molecular Properties

• Compound Name: 4-[3-[4-(cyclobutylmethoxy)piperidin-1-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;1-[3-[4-(cyclobutylmethoxy)piperidin-1-yl]propyl]-6,7-difluoro-3,4-dihydroquinolin-2-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;methane
• PubChem CID: 159661498
• Molecular Formula: C154H221F2N15O20
• Molecular Weight: 2640.54 g/mol
• Exact Mass: 2638.67
• IUPAC Name: 4-[3-[4-(cyclobutylmethoxy)piperidin-1-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;1-[3-[4-(cyclobutylmethoxy)piperidin-1-yl]propyl]-6,7-difluoro-3,4-dihydroquinolin-2-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;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.O=C1CCc2cc(F)c(F)cc2N1CCCN1CCC(OCC2CCC2)CC1.O=C1COc2ccccc2N1CCCN1CCC(OCC2CC2)CC1
• InChI: InChI=1S/2C23H32N2O3.C22H30F2N2O2.C22H32N2O3.C21H29N3O3.C21H30N2O3.C20H28N2O3.2CH4/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;23-19-13-17-5-6-22(27)26(21(17)14-20(19)24)10-2-9-25-11-7-18(8-12-25)28-15-16-3-1-4-16;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;;/h2*2-5,16-20H,6-15H2,1H3;13-14,16,18H,1-12,15H2;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;2*1H4
• InChIKey: MSWCZMNOIZDJAI-UHFFFAOYSA-N
• XLogP: 24.16
• TPSA: 297.20 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 48
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2640.54
LogP ≤ 5	24.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

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;1-[3-[4-(cyclobutylmethoxy)piperidin-1-yl]propyl]-6,7-difluoro-3,4-dihydroquinolin-2-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;methane?

The IUPAC name of 4-[3-[4-(cyclobutylmethoxy)piperidin-1-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;1-[3-[4-(cyclobutylmethoxy)piperidin-1-yl]propyl]-6,7-difluoro-3,4-dihydroquinolin-2-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;methane (CID 159661498) is 4-[3-[4-(cyclobutylmethoxy)piperidin-1-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;1-[3-[4-(cyclobutylmethoxy)piperidin-1-yl]propyl]-6,7-difluoro-3,4-dihydroquinolin-2-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;methane.

What is the SMILES notation for 4-[3-[4-(cyclobutylmethoxy)piperidin-1-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;1-[3-[4-(cyclobutylmethoxy)piperidin-1-yl]propyl]-6,7-difluoro-3,4-dihydroquinolin-2-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;methane?

The canonical SMILES for 4-[3-[4-(cyclobutylmethoxy)piperidin-1-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;1-[3-[4-(cyclobutylmethoxy)piperidin-1-yl]propyl]-6,7-difluoro-3,4-dihydroquinolin-2-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;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.O=C1CCc2cc(F)c(F)cc2N1CCCN1CCC(OCC2CCC2)CC1.O=C1COc2ccccc2N1CCCN1CCC(OCC2CC2)CC1.

What is the InChIKey of 4-[3-[4-(cyclobutylmethoxy)piperidin-1-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;1-[3-[4-(cyclobutylmethoxy)piperidin-1-yl]propyl]-6,7-difluoro-3,4-dihydroquinolin-2-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;methane?

The InChIKey is MSWCZMNOIZDJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H32N2O3.C22H30F2N2O2.C22H32N2O3.C21H29N3O3.C21H30N2O3.C20H28N2O3.2CH4/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;23-19-13-17-5-6-22(27)26(21(17)14-20(19)24)10-2-9-25-11-7-18(8-12-25)28-15-16-3-1-4-16;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;;/h2*2-5,16-20H,6-15H2,1H3;13-14,16,18H,1-12,15H2;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;2*1H4.

What are the key properties of 4-[3-[4-(cyclobutylmethoxy)piperidin-1-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;1-[3-[4-(cyclobutylmethoxy)piperidin-1-yl]propyl]-6,7-difluoro-3,4-dihydroquinolin-2-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;methane?

4-[3-[4-(cyclobutylmethoxy)piperidin-1-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;1-[3-[4-(cyclobutylmethoxy)piperidin-1-yl]propyl]-6,7-difluoro-3,4-dihydroquinolin-2-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;methane has a molecular weight of 2640.54 g/mol, XLogP of 24.16, 48 rotatable bonds, 0 hydrogen bond donors, and 28 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;1-[3-[4-(cyclobutylmethoxy)piperidin-1-yl]propyl]-6,7-difluoro-3,4-dihydroquinolin-2-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;methane is sourced from PubChem (CID 159661498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).