4-[3-[4-(cyclobutylmethoxy)piperidin-1-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;4-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-6,7-difluoro-3,4-dihydroquinolin-2-one;1-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]propyl]-6,7-difluoro-3,4-dihydroquinolin-2-one

C89H122F4N8O10 — CID 160654424

About 4-[3-[4-(cyclobutylmethoxy)piperidin-1-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;4-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-6,7-difluoro-3,4-dihydroquinolin-2-one;1-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]propyl]-6,7-difluoro-3,4-dihydroquinolin-2-one

4-[3-[4-(cyclobutylmethoxy)piperidin-1-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;4-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-6,7-difluoro-3,4-dihydroquinolin-2-one;1-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]propyl]-6,7-difluoro-3,4-dihydroquinolin-2-one (PubChem CID 160654424) has the molecular formula C89H122F4N8O10 and a molecular weight of 1539.99 g/mol. Its IUPAC name is 4-[3-[4-(cyclobutylmethoxy)piperidin-1-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;4-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-6,7-difluoro-3,4-dihydroquinolin-2-one;1-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]propyl]-6,7-difluoro-3,4-dihydroquinolin-2-one.

Molecular Properties

• Compound Name: 4-[3-[4-(cyclobutylmethoxy)piperidin-1-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;4-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-6,7-difluoro-3,4-dihydroquinolin-2-one;1-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]propyl]-6,7-difluoro-3,4-dihydroquinolin-2-one
• PubChem CID: 160654424
• Molecular Formula: C89H122F4N8O10
• Molecular Weight: 1539.99 g/mol
• Exact Mass: 1538.92
• IUPAC Name: 4-[3-[4-(cyclobutylmethoxy)piperidin-1-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;4-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-6,7-difluoro-3,4-dihydroquinolin-2-one;1-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]propyl]-6,7-difluoro-3,4-dihydroquinolin-2-one
• SMILES: CC(CN1C(=O)COc2ccccc21)CN1C2CCC1CC(OCC1CC1)C2.CC(CN1CCC(OCC2CCC2)CC1)CN1C(=O)COc2ccccc21.O=C1CCc2cc(F)c(F)cc2N1CCCN1C2CCC1CC(OCC1CC1)C2.O=C1CCc2cc(F)c(F)cc2N1CCCN1CCC(OCC2CC2)CC1
• InChI: InChI=1S/C23H30F2N2O2.C23H32N2O3.C22H32N2O3.C21H28F2N2O2/c24-20-10-16-4-7-23(28)27(22(16)13-21(20)25)9-1-8-26-17-5-6-18(26)12-19(11-17)29-14-15-2-3-15;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;22-18-12-16-4-5-21(26)25(20(16)13-19(18)23)9-1-8-24-10-6-17(7-11-24)27-14-15-2-3-15/h10,13,15,17-19H,1-9,11-12,14H2;2-5,16-20H,6-15H2,1H3;2-3,7-8,17-19H,4-6,9-16H2,1H3;12-13,15,17H,1-11,14H2
• InChIKey: RKVXMVOXTPFMKD-UHFFFAOYSA-N
• XLogP: 14.38
• TPSA: 149.58 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 28
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1539.99
LogP ≤ 5	14.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(cyclobutylmethoxy)piperidin-1-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;4-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-6,7-difluoro-3,4-dihydroquinolin-2-one;1-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]propyl]-6,7-difluoro-3,4-dihydroquinolin-2-one?

The IUPAC name of 4-[3-[4-(cyclobutylmethoxy)piperidin-1-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;4-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-6,7-difluoro-3,4-dihydroquinolin-2-one;1-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]propyl]-6,7-difluoro-3,4-dihydroquinolin-2-one (CID 160654424) is 4-[3-[4-(cyclobutylmethoxy)piperidin-1-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;4-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-6,7-difluoro-3,4-dihydroquinolin-2-one;1-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]propyl]-6,7-difluoro-3,4-dihydroquinolin-2-one.

What is the SMILES notation for 4-[3-[4-(cyclobutylmethoxy)piperidin-1-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;4-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-6,7-difluoro-3,4-dihydroquinolin-2-one;1-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]propyl]-6,7-difluoro-3,4-dihydroquinolin-2-one?

The canonical SMILES for 4-[3-[4-(cyclobutylmethoxy)piperidin-1-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;4-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-6,7-difluoro-3,4-dihydroquinolin-2-one;1-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]propyl]-6,7-difluoro-3,4-dihydroquinolin-2-one is CC(CN1C(=O)COc2ccccc21)CN1C2CCC1CC(OCC1CC1)C2.CC(CN1CCC(OCC2CCC2)CC1)CN1C(=O)COc2ccccc21.O=C1CCc2cc(F)c(F)cc2N1CCCN1C2CCC1CC(OCC1CC1)C2.O=C1CCc2cc(F)c(F)cc2N1CCCN1CCC(OCC2CC2)CC1.

What is the InChIKey of 4-[3-[4-(cyclobutylmethoxy)piperidin-1-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;4-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-6,7-difluoro-3,4-dihydroquinolin-2-one;1-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]propyl]-6,7-difluoro-3,4-dihydroquinolin-2-one?

The InChIKey is RKVXMVOXTPFMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30F2N2O2.C23H32N2O3.C22H32N2O3.C21H28F2N2O2/c24-20-10-16-4-7-23(28)27(22(16)13-21(20)25)9-1-8-26-17-5-6-18(26)12-19(11-17)29-14-15-2-3-15;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;22-18-12-16-4-5-21(26)25(20(16)13-19(18)23)9-1-8-24-10-6-17(7-11-24)27-14-15-2-3-15/h10,13,15,17-19H,1-9,11-12,14H2;2-5,16-20H,6-15H2,1H3;2-3,7-8,17-19H,4-6,9-16H2,1H3;12-13,15,17H,1-11,14H2.

What are the key properties of 4-[3-[4-(cyclobutylmethoxy)piperidin-1-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;4-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-6,7-difluoro-3,4-dihydroquinolin-2-one;1-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]propyl]-6,7-difluoro-3,4-dihydroquinolin-2-one?

4-[3-[4-(cyclobutylmethoxy)piperidin-1-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;4-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-6,7-difluoro-3,4-dihydroquinolin-2-one;1-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]propyl]-6,7-difluoro-3,4-dihydroquinolin-2-one has a molecular weight of 1539.99 g/mol, XLogP of 14.38, 28 rotatable bonds, 0 hydrogen bond donors, and 14 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;4-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-1,4-benzoxazin-3-one;1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-6,7-difluoro-3,4-dihydroquinolin-2-one;1-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]propyl]-6,7-difluoro-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 160654424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).