5-(2,4-dimethoxyanilino)-6-methylidenepiperidin-2-one;5-(2,4-dimethoxy-N-methylanilino)-6-methylidenepiperidin-2-one;6-methylidene-5-[4-(4-methylpiperazin-1-yl)anilino]piperidin-2-one;6-methylidene-5-(4-morpholin-4-ylanilino)piperidin-2-one;6-methylidene-5-[4-(piperidin-1-ylmethyl)anilino]piperidin-2-one;6-methylidene-5-[4-(pyrrolidin-1-ylmethyl)anilino]piperidin-2-one;4-methyl-3-[(2-methylidene-6-oxopiperidin-3-yl)amino]benzonitrile

C111H146N20O12 — CID 158888182

About 5-(2,4-dimethoxyanilino)-6-methylidenepiperidin-2-one;5-(2,4-dimethoxy-N-methylanilino)-6-methylidenepiperidin-2-one;6-methylidene-5-[4-(4-methylpiperazin-1-yl)anilino]piperidin-2-one;6-methylidene-5-(4-morpholin-4-ylanilino)piperidin-2-one;6-methylidene-5-[4-(piperidin-1-ylmethyl)anilino]piperidin-2-one;6-methylidene-5-[4-(pyrrolidin-1-ylmethyl)anilino]piperidin-2-one;4-methyl-3-[(2-methylidene-6-oxopiperidin-3-yl)amino]benzonitrile

5-(2,4-dimethoxyanilino)-6-methylidenepiperidin-2-one;5-(2,4-dimethoxy-N-methylanilino)-6-methylidenepiperidin-2-one;6-methylidene-5-[4-(4-methylpiperazin-1-yl)anilino]piperidin-2-one;6-methylidene-5-(4-morpholin-4-ylanilino)piperidin-2-one;6-methylidene-5-[4-(piperidin-1-ylmethyl)anilino]piperidin-2-one;6-methylidene-5-[4-(pyrrolidin-1-ylmethyl)anilino]piperidin-2-one;4-methyl-3-[(2-methylidene-6-oxopiperidin-3-yl)amino]benzonitrile (PubChem CID 158888182) has the molecular formula C111H146N20O12 and a molecular weight of 1952.52 g/mol. Its IUPAC name is 5-(2,4-dimethoxyanilino)-6-methylidenepiperidin-2-one;5-(2,4-dimethoxy-N-methylanilino)-6-methylidenepiperidin-2-one;6-methylidene-5-[4-(4-methylpiperazin-1-yl)anilino]piperidin-2-one;6-methylidene-5-(4-morpholin-4-ylanilino)piperidin-2-one;6-methylidene-5-[4-(piperidin-1-ylmethyl)anilino]piperidin-2-one;6-methylidene-5-[4-(pyrrolidin-1-ylmethyl)anilino]piperidin-2-one;4-methyl-3-[(2-methylidene-6-oxopiperidin-3-yl)amino]benzonitrile.

Molecular Properties

• Compound Name: 5-(2,4-dimethoxyanilino)-6-methylidenepiperidin-2-one;5-(2,4-dimethoxy-N-methylanilino)-6-methylidenepiperidin-2-one;6-methylidene-5-[4-(4-methylpiperazin-1-yl)anilino]piperidin-2-one;6-methylidene-5-(4-morpholin-4-ylanilino)piperidin-2-one;6-methylidene-5-[4-(piperidin-1-ylmethyl)anilino]piperidin-2-one;6-methylidene-5-[4-(pyrrolidin-1-ylmethyl)anilino]piperidin-2-one;4-methyl-3-[(2-methylidene-6-oxopiperidin-3-yl)amino]benzonitrile
• PubChem CID: 158888182
• Molecular Formula: C111H146N20O12
• Molecular Weight: 1952.52 g/mol
• Exact Mass: 1951.14
• IUPAC Name: 5-(2,4-dimethoxyanilino)-6-methylidenepiperidin-2-one;5-(2,4-dimethoxy-N-methylanilino)-6-methylidenepiperidin-2-one;6-methylidene-5-[4-(4-methylpiperazin-1-yl)anilino]piperidin-2-one;6-methylidene-5-(4-morpholin-4-ylanilino)piperidin-2-one;6-methylidene-5-[4-(piperidin-1-ylmethyl)anilino]piperidin-2-one;6-methylidene-5-[4-(pyrrolidin-1-ylmethyl)anilino]piperidin-2-one;4-methyl-3-[(2-methylidene-6-oxopiperidin-3-yl)amino]benzonitrile
• SMILES: C=C1NC(=O)CCC1N(C)c1ccc(OC)cc1OC.C=C1NC(=O)CCC1Nc1cc(C#N)ccc1C.C=C1NC(=O)CCC1Nc1ccc(CN2CCCC2)cc1.C=C1NC(=O)CCC1Nc1ccc(CN2CCCCC2)cc1.C=C1NC(=O)CCC1Nc1ccc(N2CCN(C)CC2)cc1.C=C1NC(=O)CCC1Nc1ccc(N2CCOCC2)cc1.C=C1NC(=O)CCC1Nc1ccc(OC)cc1OC
• InChI: InChI=1S/C18H25N3O.C17H24N4O.C17H23N3O.C16H21N3O2.C15H20N2O3.C14H15N3O.C14H18N2O3/c1-14-17(9-10-18(22)19-14)20-16-7-5-15(6-8-16)13-21-11-3-2-4-12-21;1-13-16(7-8-17(22)18-13)19-14-3-5-15(6-4-14)21-11-9-20(2)10-12-21;1-13-16(8-9-17(21)18-13)19-15-6-4-14(5-7-15)12-20-10-2-3-11-20;1-12-15(6-7-16(20)17-12)18-13-2-4-14(5-3-13)19-8-10-21-11-9-19;1-10-12(7-8-15(18)16-10)17(2)13-6-5-11(19-3)9-14(13)20-4;1-9-3-4-11(8-15)7-13(9)17-12-5-6-14(18)16-10(12)2;1-9-11(6-7-14(17)15-9)16-12-5-4-10(18-2)8-13(12)19-3/h5-8,17,20H,1-4,9-13H2,(H,19,22);3-6,16,19H,1,7-12H2,2H3,(H,18,22);4-7,16,19H,1-3,8-12H2,(H,18,21);2-5,15,18H,1,6-11H2,(H,17,20);5-6,9,12H,1,7-8H2,2-4H3,(H,16,18);3-4,7,12,17H,2,5-6H2,1H3,(H,16,18);4-5,8,11,16H,1,6-7H2,2-3H3,(H,15,17)
• InChIKey: JDWUHUTUDMCVCK-UHFFFAOYSA-N
• XLogP: 14.64
• TPSA: 365.26 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 25
• Rotatable Bonds: 24
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1952.52
LogP ≤ 5	14.64
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethoxyanilino)-6-methylidenepiperidin-2-one;5-(2,4-dimethoxy-N-methylanilino)-6-methylidenepiperidin-2-one;6-methylidene-5-[4-(4-methylpiperazin-1-yl)anilino]piperidin-2-one;6-methylidene-5-(4-morpholin-4-ylanilino)piperidin-2-one;6-methylidene-5-[4-(piperidin-1-ylmethyl)anilino]piperidin-2-one;6-methylidene-5-[4-(pyrrolidin-1-ylmethyl)anilino]piperidin-2-one;4-methyl-3-[(2-methylidene-6-oxopiperidin-3-yl)amino]benzonitrile?

The IUPAC name of 5-(2,4-dimethoxyanilino)-6-methylidenepiperidin-2-one;5-(2,4-dimethoxy-N-methylanilino)-6-methylidenepiperidin-2-one;6-methylidene-5-[4-(4-methylpiperazin-1-yl)anilino]piperidin-2-one;6-methylidene-5-(4-morpholin-4-ylanilino)piperidin-2-one;6-methylidene-5-[4-(piperidin-1-ylmethyl)anilino]piperidin-2-one;6-methylidene-5-[4-(pyrrolidin-1-ylmethyl)anilino]piperidin-2-one;4-methyl-3-[(2-methylidene-6-oxopiperidin-3-yl)amino]benzonitrile (CID 158888182) is 5-(2,4-dimethoxyanilino)-6-methylidenepiperidin-2-one;5-(2,4-dimethoxy-N-methylanilino)-6-methylidenepiperidin-2-one;6-methylidene-5-[4-(4-methylpiperazin-1-yl)anilino]piperidin-2-one;6-methylidene-5-(4-morpholin-4-ylanilino)piperidin-2-one;6-methylidene-5-[4-(piperidin-1-ylmethyl)anilino]piperidin-2-one;6-methylidene-5-[4-(pyrrolidin-1-ylmethyl)anilino]piperidin-2-one;4-methyl-3-[(2-methylidene-6-oxopiperidin-3-yl)amino]benzonitrile.

What is the SMILES notation for 5-(2,4-dimethoxyanilino)-6-methylidenepiperidin-2-one;5-(2,4-dimethoxy-N-methylanilino)-6-methylidenepiperidin-2-one;6-methylidene-5-[4-(4-methylpiperazin-1-yl)anilino]piperidin-2-one;6-methylidene-5-(4-morpholin-4-ylanilino)piperidin-2-one;6-methylidene-5-[4-(piperidin-1-ylmethyl)anilino]piperidin-2-one;6-methylidene-5-[4-(pyrrolidin-1-ylmethyl)anilino]piperidin-2-one;4-methyl-3-[(2-methylidene-6-oxopiperidin-3-yl)amino]benzonitrile?

The canonical SMILES for 5-(2,4-dimethoxyanilino)-6-methylidenepiperidin-2-one;5-(2,4-dimethoxy-N-methylanilino)-6-methylidenepiperidin-2-one;6-methylidene-5-[4-(4-methylpiperazin-1-yl)anilino]piperidin-2-one;6-methylidene-5-(4-morpholin-4-ylanilino)piperidin-2-one;6-methylidene-5-[4-(piperidin-1-ylmethyl)anilino]piperidin-2-one;6-methylidene-5-[4-(pyrrolidin-1-ylmethyl)anilino]piperidin-2-one;4-methyl-3-[(2-methylidene-6-oxopiperidin-3-yl)amino]benzonitrile is C=C1NC(=O)CCC1N(C)c1ccc(OC)cc1OC.C=C1NC(=O)CCC1Nc1cc(C#N)ccc1C.C=C1NC(=O)CCC1Nc1ccc(CN2CCCC2)cc1.C=C1NC(=O)CCC1Nc1ccc(CN2CCCCC2)cc1.C=C1NC(=O)CCC1Nc1ccc(N2CCN(C)CC2)cc1.C=C1NC(=O)CCC1Nc1ccc(N2CCOCC2)cc1.C=C1NC(=O)CCC1Nc1ccc(OC)cc1OC.

What is the InChIKey of 5-(2,4-dimethoxyanilino)-6-methylidenepiperidin-2-one;5-(2,4-dimethoxy-N-methylanilino)-6-methylidenepiperidin-2-one;6-methylidene-5-[4-(4-methylpiperazin-1-yl)anilino]piperidin-2-one;6-methylidene-5-(4-morpholin-4-ylanilino)piperidin-2-one;6-methylidene-5-[4-(piperidin-1-ylmethyl)anilino]piperidin-2-one;6-methylidene-5-[4-(pyrrolidin-1-ylmethyl)anilino]piperidin-2-one;4-methyl-3-[(2-methylidene-6-oxopiperidin-3-yl)amino]benzonitrile?

The InChIKey is JDWUHUTUDMCVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O.C17H24N4O.C17H23N3O.C16H21N3O2.C15H20N2O3.C14H15N3O.C14H18N2O3/c1-14-17(9-10-18(22)19-14)20-16-7-5-15(6-8-16)13-21-11-3-2-4-12-21;1-13-16(7-8-17(22)18-13)19-14-3-5-15(6-4-14)21-11-9-20(2)10-12-21;1-13-16(8-9-17(21)18-13)19-15-6-4-14(5-7-15)12-20-10-2-3-11-20;1-12-15(6-7-16(20)17-12)18-13-2-4-14(5-3-13)19-8-10-21-11-9-19;1-10-12(7-8-15(18)16-10)17(2)13-6-5-11(19-3)9-14(13)20-4;1-9-3-4-11(8-15)7-13(9)17-12-5-6-14(18)16-10(12)2;1-9-11(6-7-14(17)15-9)16-12-5-4-10(18-2)8-13(12)19-3/h5-8,17,20H,1-4,9-13H2,(H,19,22);3-6,16,19H,1,7-12H2,2H3,(H,18,22);4-7,16,19H,1-3,8-12H2,(H,18,21);2-5,15,18H,1,6-11H2,(H,17,20);5-6,9,12H,1,7-8H2,2-4H3,(H,16,18);3-4,7,12,17H,2,5-6H2,1H3,(H,16,18);4-5,8,11,16H,1,6-7H2,2-3H3,(H,15,17).

What are the key properties of 5-(2,4-dimethoxyanilino)-6-methylidenepiperidin-2-one;5-(2,4-dimethoxy-N-methylanilino)-6-methylidenepiperidin-2-one;6-methylidene-5-[4-(4-methylpiperazin-1-yl)anilino]piperidin-2-one;6-methylidene-5-(4-morpholin-4-ylanilino)piperidin-2-one;6-methylidene-5-[4-(piperidin-1-ylmethyl)anilino]piperidin-2-one;6-methylidene-5-[4-(pyrrolidin-1-ylmethyl)anilino]piperidin-2-one;4-methyl-3-[(2-methylidene-6-oxopiperidin-3-yl)amino]benzonitrile?

5-(2,4-dimethoxyanilino)-6-methylidenepiperidin-2-one;5-(2,4-dimethoxy-N-methylanilino)-6-methylidenepiperidin-2-one;6-methylidene-5-[4-(4-methylpiperazin-1-yl)anilino]piperidin-2-one;6-methylidene-5-(4-morpholin-4-ylanilino)piperidin-2-one;6-methylidene-5-[4-(piperidin-1-ylmethyl)anilino]piperidin-2-one;6-methylidene-5-[4-(pyrrolidin-1-ylmethyl)anilino]piperidin-2-one;4-methyl-3-[(2-methylidene-6-oxopiperidin-3-yl)amino]benzonitrile has a molecular weight of 1952.52 g/mol, XLogP of 14.64, 24 rotatable bonds, 13 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,4-dimethoxyanilino)-6-methylidenepiperidin-2-one;5-(2,4-dimethoxy-N-methylanilino)-6-methylidenepiperidin-2-one;6-methylidene-5-[4-(4-methylpiperazin-1-yl)anilino]piperidin-2-one;6-methylidene-5-(4-morpholin-4-ylanilino)piperidin-2-one;6-methylidene-5-[4-(piperidin-1-ylmethyl)anilino]piperidin-2-one;6-methylidene-5-[4-(pyrrolidin-1-ylmethyl)anilino]piperidin-2-one;4-methyl-3-[(2-methylidene-6-oxopiperidin-3-yl)amino]benzonitrile is sourced from PubChem (CID 158888182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).