5-(3-fluoroanilino)-6-methylidenepiperidin-2-one;5-(4-fluoroanilino)-6-methylidenepiperidin-2-one;5-(2-fluoro-4-methoxyanilino)-6-methylidenepiperidin-2-one;5-(3-fluoro-4-methoxyanilino)-6-methylidenepiperidin-2-one;5-(4-fluoro-2-methoxyanilino)-6-methylidenepiperidin-2-one;5-(3-methoxyanilino)-6-methylidenepiperidin-2-one;6-methylidene-5-(3-morpholin-4-ylanilino)piperidin-2-one;2-methyl-5-[(2-methylidene-6-oxopiperidin-3-yl)amino]benzonitrile

C106H123F5N18O13 — CID 157383592

About 5-(3-fluoroanilino)-6-methylidenepiperidin-2-one;5-(4-fluoroanilino)-6-methylidenepiperidin-2-one;5-(2-fluoro-4-methoxyanilino)-6-methylidenepiperidin-2-one;5-(3-fluoro-4-methoxyanilino)-6-methylidenepiperidin-2-one;5-(4-fluoro-2-methoxyanilino)-6-methylidenepiperidin-2-one;5-(3-methoxyanilino)-6-methylidenepiperidin-2-one;6-methylidene-5-(3-morpholin-4-ylanilino)piperidin-2-one;2-methyl-5-[(2-methylidene-6-oxopiperidin-3-yl)amino]benzonitrile

5-(3-fluoroanilino)-6-methylidenepiperidin-2-one;5-(4-fluoroanilino)-6-methylidenepiperidin-2-one;5-(2-fluoro-4-methoxyanilino)-6-methylidenepiperidin-2-one;5-(3-fluoro-4-methoxyanilino)-6-methylidenepiperidin-2-one;5-(4-fluoro-2-methoxyanilino)-6-methylidenepiperidin-2-one;5-(3-methoxyanilino)-6-methylidenepiperidin-2-one;6-methylidene-5-(3-morpholin-4-ylanilino)piperidin-2-one;2-methyl-5-[(2-methylidene-6-oxopiperidin-3-yl)amino]benzonitrile (PubChem CID 157383592) has the molecular formula C106H123F5N18O13 and a molecular weight of 1952.25 g/mol. Its IUPAC name is 5-(3-fluoroanilino)-6-methylidenepiperidin-2-one;5-(4-fluoroanilino)-6-methylidenepiperidin-2-one;5-(2-fluoro-4-methoxyanilino)-6-methylidenepiperidin-2-one;5-(3-fluoro-4-methoxyanilino)-6-methylidenepiperidin-2-one;5-(4-fluoro-2-methoxyanilino)-6-methylidenepiperidin-2-one;5-(3-methoxyanilino)-6-methylidenepiperidin-2-one;6-methylidene-5-(3-morpholin-4-ylanilino)piperidin-2-one;2-methyl-5-[(2-methylidene-6-oxopiperidin-3-yl)amino]benzonitrile.

Molecular Properties

• Compound Name: 5-(3-fluoroanilino)-6-methylidenepiperidin-2-one;5-(4-fluoroanilino)-6-methylidenepiperidin-2-one;5-(2-fluoro-4-methoxyanilino)-6-methylidenepiperidin-2-one;5-(3-fluoro-4-methoxyanilino)-6-methylidenepiperidin-2-one;5-(4-fluoro-2-methoxyanilino)-6-methylidenepiperidin-2-one;5-(3-methoxyanilino)-6-methylidenepiperidin-2-one;6-methylidene-5-(3-morpholin-4-ylanilino)piperidin-2-one;2-methyl-5-[(2-methylidene-6-oxopiperidin-3-yl)amino]benzonitrile
• PubChem CID: 157383592
• Molecular Formula: C106H123F5N18O13
• Molecular Weight: 1952.25 g/mol
• Exact Mass: 1950.94
• IUPAC Name: 5-(3-fluoroanilino)-6-methylidenepiperidin-2-one;5-(4-fluoroanilino)-6-methylidenepiperidin-2-one;5-(2-fluoro-4-methoxyanilino)-6-methylidenepiperidin-2-one;5-(3-fluoro-4-methoxyanilino)-6-methylidenepiperidin-2-one;5-(4-fluoro-2-methoxyanilino)-6-methylidenepiperidin-2-one;5-(3-methoxyanilino)-6-methylidenepiperidin-2-one;6-methylidene-5-(3-morpholin-4-ylanilino)piperidin-2-one;2-methyl-5-[(2-methylidene-6-oxopiperidin-3-yl)amino]benzonitrile
• SMILES: C=C1NC(=O)CCC1Nc1ccc(C)c(C#N)c1.C=C1NC(=O)CCC1Nc1ccc(F)cc1.C=C1NC(=O)CCC1Nc1ccc(F)cc1OC.C=C1NC(=O)CCC1Nc1ccc(OC)c(F)c1.C=C1NC(=O)CCC1Nc1ccc(OC)cc1F.C=C1NC(=O)CCC1Nc1cccc(F)c1.C=C1NC(=O)CCC1Nc1cccc(N2CCOCC2)c1.C=C1NC(=O)CCC1Nc1cccc(OC)c1
• InChI: InChI=1S/C16H21N3O2.C14H15N3O.3C13H15FN2O2.C13H16N2O2.2C12H13FN2O/c1-12-15(5-6-16(20)17-12)18-13-3-2-4-14(11-13)19-7-9-21-10-8-19;1-9-3-4-12(7-11(9)8-15)17-13-5-6-14(18)16-10(13)2;1-8-11(4-6-13(17)15-8)16-9-3-5-12(18-2)10(14)7-9;1-8-11(5-6-13(17)15-8)16-12-4-3-9(18-2)7-10(12)14;1-8-10(5-6-13(17)15-8)16-11-4-3-9(14)7-12(11)18-2;1-9-12(6-7-13(16)14-9)15-10-4-3-5-11(8-10)17-2;1-8-11(6-7-12(16)14-8)15-10-4-2-9(13)3-5-10;1-8-11(5-6-12(16)14-8)15-10-4-2-3-9(13)7-10/h2-4,11,15,18H,1,5-10H2,(H,17,20);3-4,7,13,17H,2,5-6H2,1H3,(H,16,18);3,5,7,11,16H,1,4,6H2,2H3,(H,15,17);3-4,7,11,16H,1,5-6H2,2H3,(H,15,17);3-4,7,10,16H,1,5-6H2,2H3,(H,15,17);3-5,8,12,15H,1,6-7H2,2H3,(H,14,16);2-5,11,15H,1,6-7H2,(H,14,16);2-4,7,11,15H,1,5-6H2,(H,14,16)
• InChIKey: BLEAPVJOVUTLLY-UHFFFAOYSA-N
• XLogP: 15.87
• TPSA: 402.22 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 23
• Rotatable Bonds: 21
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1952.25
LogP ≤ 5	15.87
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoroanilino)-6-methylidenepiperidin-2-one;5-(4-fluoroanilino)-6-methylidenepiperidin-2-one;5-(2-fluoro-4-methoxyanilino)-6-methylidenepiperidin-2-one;5-(3-fluoro-4-methoxyanilino)-6-methylidenepiperidin-2-one;5-(4-fluoro-2-methoxyanilino)-6-methylidenepiperidin-2-one;5-(3-methoxyanilino)-6-methylidenepiperidin-2-one;6-methylidene-5-(3-morpholin-4-ylanilino)piperidin-2-one;2-methyl-5-[(2-methylidene-6-oxopiperidin-3-yl)amino]benzonitrile?

The IUPAC name of 5-(3-fluoroanilino)-6-methylidenepiperidin-2-one;5-(4-fluoroanilino)-6-methylidenepiperidin-2-one;5-(2-fluoro-4-methoxyanilino)-6-methylidenepiperidin-2-one;5-(3-fluoro-4-methoxyanilino)-6-methylidenepiperidin-2-one;5-(4-fluoro-2-methoxyanilino)-6-methylidenepiperidin-2-one;5-(3-methoxyanilino)-6-methylidenepiperidin-2-one;6-methylidene-5-(3-morpholin-4-ylanilino)piperidin-2-one;2-methyl-5-[(2-methylidene-6-oxopiperidin-3-yl)amino]benzonitrile (CID 157383592) is 5-(3-fluoroanilino)-6-methylidenepiperidin-2-one;5-(4-fluoroanilino)-6-methylidenepiperidin-2-one;5-(2-fluoro-4-methoxyanilino)-6-methylidenepiperidin-2-one;5-(3-fluoro-4-methoxyanilino)-6-methylidenepiperidin-2-one;5-(4-fluoro-2-methoxyanilino)-6-methylidenepiperidin-2-one;5-(3-methoxyanilino)-6-methylidenepiperidin-2-one;6-methylidene-5-(3-morpholin-4-ylanilino)piperidin-2-one;2-methyl-5-[(2-methylidene-6-oxopiperidin-3-yl)amino]benzonitrile.

What is the SMILES notation for 5-(3-fluoroanilino)-6-methylidenepiperidin-2-one;5-(4-fluoroanilino)-6-methylidenepiperidin-2-one;5-(2-fluoro-4-methoxyanilino)-6-methylidenepiperidin-2-one;5-(3-fluoro-4-methoxyanilino)-6-methylidenepiperidin-2-one;5-(4-fluoro-2-methoxyanilino)-6-methylidenepiperidin-2-one;5-(3-methoxyanilino)-6-methylidenepiperidin-2-one;6-methylidene-5-(3-morpholin-4-ylanilino)piperidin-2-one;2-methyl-5-[(2-methylidene-6-oxopiperidin-3-yl)amino]benzonitrile?

The canonical SMILES for 5-(3-fluoroanilino)-6-methylidenepiperidin-2-one;5-(4-fluoroanilino)-6-methylidenepiperidin-2-one;5-(2-fluoro-4-methoxyanilino)-6-methylidenepiperidin-2-one;5-(3-fluoro-4-methoxyanilino)-6-methylidenepiperidin-2-one;5-(4-fluoro-2-methoxyanilino)-6-methylidenepiperidin-2-one;5-(3-methoxyanilino)-6-methylidenepiperidin-2-one;6-methylidene-5-(3-morpholin-4-ylanilino)piperidin-2-one;2-methyl-5-[(2-methylidene-6-oxopiperidin-3-yl)amino]benzonitrile is C=C1NC(=O)CCC1Nc1ccc(C)c(C#N)c1.C=C1NC(=O)CCC1Nc1ccc(F)cc1.C=C1NC(=O)CCC1Nc1ccc(F)cc1OC.C=C1NC(=O)CCC1Nc1ccc(OC)c(F)c1.C=C1NC(=O)CCC1Nc1ccc(OC)cc1F.C=C1NC(=O)CCC1Nc1cccc(F)c1.C=C1NC(=O)CCC1Nc1cccc(N2CCOCC2)c1.C=C1NC(=O)CCC1Nc1cccc(OC)c1.

What is the InChIKey of 5-(3-fluoroanilino)-6-methylidenepiperidin-2-one;5-(4-fluoroanilino)-6-methylidenepiperidin-2-one;5-(2-fluoro-4-methoxyanilino)-6-methylidenepiperidin-2-one;5-(3-fluoro-4-methoxyanilino)-6-methylidenepiperidin-2-one;5-(4-fluoro-2-methoxyanilino)-6-methylidenepiperidin-2-one;5-(3-methoxyanilino)-6-methylidenepiperidin-2-one;6-methylidene-5-(3-morpholin-4-ylanilino)piperidin-2-one;2-methyl-5-[(2-methylidene-6-oxopiperidin-3-yl)amino]benzonitrile?

The InChIKey is BLEAPVJOVUTLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2.C14H15N3O.3C13H15FN2O2.C13H16N2O2.2C12H13FN2O/c1-12-15(5-6-16(20)17-12)18-13-3-2-4-14(11-13)19-7-9-21-10-8-19;1-9-3-4-12(7-11(9)8-15)17-13-5-6-14(18)16-10(13)2;1-8-11(4-6-13(17)15-8)16-9-3-5-12(18-2)10(14)7-9;1-8-11(5-6-13(17)15-8)16-12-4-3-9(18-2)7-10(12)14;1-8-10(5-6-13(17)15-8)16-11-4-3-9(14)7-12(11)18-2;1-9-12(6-7-13(16)14-9)15-10-4-3-5-11(8-10)17-2;1-8-11(6-7-12(16)14-8)15-10-4-2-9(13)3-5-10;1-8-11(5-6-12(16)14-8)15-10-4-2-3-9(13)7-10/h2-4,11,15,18H,1,5-10H2,(H,17,20);3-4,7,13,17H,2,5-6H2,1H3,(H,16,18);3,5,7,11,16H,1,4,6H2,2H3,(H,15,17);3-4,7,11,16H,1,5-6H2,2H3,(H,15,17);3-4,7,10,16H,1,5-6H2,2H3,(H,15,17);3-5,8,12,15H,1,6-7H2,2H3,(H,14,16);2-5,11,15H,1,6-7H2,(H,14,16);2-4,7,11,15H,1,5-6H2,(H,14,16).

What are the key properties of 5-(3-fluoroanilino)-6-methylidenepiperidin-2-one;5-(4-fluoroanilino)-6-methylidenepiperidin-2-one;5-(2-fluoro-4-methoxyanilino)-6-methylidenepiperidin-2-one;5-(3-fluoro-4-methoxyanilino)-6-methylidenepiperidin-2-one;5-(4-fluoro-2-methoxyanilino)-6-methylidenepiperidin-2-one;5-(3-methoxyanilino)-6-methylidenepiperidin-2-one;6-methylidene-5-(3-morpholin-4-ylanilino)piperidin-2-one;2-methyl-5-[(2-methylidene-6-oxopiperidin-3-yl)amino]benzonitrile?

5-(3-fluoroanilino)-6-methylidenepiperidin-2-one;5-(4-fluoroanilino)-6-methylidenepiperidin-2-one;5-(2-fluoro-4-methoxyanilino)-6-methylidenepiperidin-2-one;5-(3-fluoro-4-methoxyanilino)-6-methylidenepiperidin-2-one;5-(4-fluoro-2-methoxyanilino)-6-methylidenepiperidin-2-one;5-(3-methoxyanilino)-6-methylidenepiperidin-2-one;6-methylidene-5-(3-morpholin-4-ylanilino)piperidin-2-one;2-methyl-5-[(2-methylidene-6-oxopiperidin-3-yl)amino]benzonitrile has a molecular weight of 1952.25 g/mol, XLogP of 15.87, 21 rotatable bonds, 16 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-fluoroanilino)-6-methylidenepiperidin-2-one;5-(4-fluoroanilino)-6-methylidenepiperidin-2-one;5-(2-fluoro-4-methoxyanilino)-6-methylidenepiperidin-2-one;5-(3-fluoro-4-methoxyanilino)-6-methylidenepiperidin-2-one;5-(4-fluoro-2-methoxyanilino)-6-methylidenepiperidin-2-one;5-(3-methoxyanilino)-6-methylidenepiperidin-2-one;6-methylidene-5-(3-morpholin-4-ylanilino)piperidin-2-one;2-methyl-5-[(2-methylidene-6-oxopiperidin-3-yl)amino]benzonitrile is sourced from PubChem (CID 157383592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).