(3E,5E)-3,5-bis[(4-bromophenyl)methylidene]-1-ethylpiperidin-4-one;(3E,5E)-3,5-bis[(3,4-dichlorophenyl)methylidene]-1-ethylpiperidin-4-one;(3E,5E)-3-[(2,3-dimethoxyphenyl)methylidene]-1-ethyl-5-[(2-methoxy-3-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-3-[(2,6-dimethoxyphenyl)methylidene]-1-ethyl-5-[(2-methoxy-6-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-1-ethyl-3,5-bis(pyridin-3-ylmethylidene)piperidin-4-one;(3E,5E)-1-ethyl-3-[(3-methoxy-4,5-dimethylphenyl)methylidene]-5-[(3,4,5-trimethoxyphenyl)methylidene]piperidin-4-one

C138H146Br2Cl4N8O16 — CID 159929735

About (3E,5E)-3,5-bis[(4-bromophenyl)methylidene]-1-ethylpiperidin-4-one;(3E,5E)-3,5-bis[(3,4-dichlorophenyl)methylidene]-1-ethylpiperidin-4-one;(3E,5E)-3-[(2,3-dimethoxyphenyl)methylidene]-1-ethyl-5-[(2-methoxy-3-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-3-[(2,6-dimethoxyphenyl)methylidene]-1-ethyl-5-[(2-methoxy-6-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-1-ethyl-3,5-bis(pyridin-3-ylmethylidene)piperidin-4-one;(3E,5E)-1-ethyl-3-[(3-methoxy-4,5-dimethylphenyl)methylidene]-5-[(3,4,5-trimethoxyphenyl)methylidene]piperidin-4-one

(3E,5E)-3,5-bis[(4-bromophenyl)methylidene]-1-ethylpiperidin-4-one;(3E,5E)-3,5-bis[(3,4-dichlorophenyl)methylidene]-1-ethylpiperidin-4-one;(3E,5E)-3-[(2,3-dimethoxyphenyl)methylidene]-1-ethyl-5-[(2-methoxy-3-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-3-[(2,6-dimethoxyphenyl)methylidene]-1-ethyl-5-[(2-methoxy-6-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-1-ethyl-3,5-bis(pyridin-3-ylmethylidene)piperidin-4-one;(3E,5E)-1-ethyl-3-[(3-methoxy-4,5-dimethylphenyl)methylidene]-5-[(3,4,5-trimethoxyphenyl)methylidene]piperidin-4-one (PubChem CID 159929735) has the molecular formula C138H146Br2Cl4N8O16 and a molecular weight of 2474.35 g/mol. Its IUPAC name is (3E,5E)-3,5-bis[(4-bromophenyl)methylidene]-1-ethylpiperidin-4-one;(3E,5E)-3,5-bis[(3,4-dichlorophenyl)methylidene]-1-ethylpiperidin-4-one;(3E,5E)-3-[(2,3-dimethoxyphenyl)methylidene]-1-ethyl-5-[(2-methoxy-3-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-3-[(2,6-dimethoxyphenyl)methylidene]-1-ethyl-5-[(2-methoxy-6-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-1-ethyl-3,5-bis(pyridin-3-ylmethylidene)piperidin-4-one;(3E,5E)-1-ethyl-3-[(3-methoxy-4,5-dimethylphenyl)methylidene]-5-[(3,4,5-trimethoxyphenyl)methylidene]piperidin-4-one.

Molecular Properties

• Compound Name: (3E,5E)-3,5-bis[(4-bromophenyl)methylidene]-1-ethylpiperidin-4-one;(3E,5E)-3,5-bis[(3,4-dichlorophenyl)methylidene]-1-ethylpiperidin-4-one;(3E,5E)-3-[(2,3-dimethoxyphenyl)methylidene]-1-ethyl-5-[(2-methoxy-3-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-3-[(2,6-dimethoxyphenyl)methylidene]-1-ethyl-5-[(2-methoxy-6-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-1-ethyl-3,5-bis(pyridin-3-ylmethylidene)piperidin-4-one;(3E,5E)-1-ethyl-3-[(3-methoxy-4,5-dimethylphenyl)methylidene]-5-[(3,4,5-trimethoxyphenyl)methylidene]piperidin-4-one
• PubChem CID: 159929735
• Molecular Formula: C138H146Br2Cl4N8O16
• Molecular Weight: 2474.35 g/mol
• Exact Mass: 2468.80
• IUPAC Name: (3E,5E)-3,5-bis[(4-bromophenyl)methylidene]-1-ethylpiperidin-4-one;(3E,5E)-3,5-bis[(3,4-dichlorophenyl)methylidene]-1-ethylpiperidin-4-one;(3E,5E)-3-[(2,3-dimethoxyphenyl)methylidene]-1-ethyl-5-[(2-methoxy-3-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-3-[(2,6-dimethoxyphenyl)methylidene]-1-ethyl-5-[(2-methoxy-6-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-1-ethyl-3,5-bis(pyridin-3-ylmethylidene)piperidin-4-one;(3E,5E)-1-ethyl-3-[(3-methoxy-4,5-dimethylphenyl)methylidene]-5-[(3,4,5-trimethoxyphenyl)methylidene]piperidin-4-one
• SMILES: CCN1C/C(=C\c2c(C)cccc2OC)C(=O)/C(=C/c2c(OC)cccc2OC)C1.CCN1C/C(=C\c2cc(C)c(C)c(OC)c2)C(=O)/C(=C/c2cc(OC)c(OC)c(OC)c2)C1.CCN1C/C(=C\c2ccc(Br)cc2)C(=O)/C(=C/c2ccc(Br)cc2)C1.CCN1C/C(=C\c2ccc(Cl)c(Cl)c2)C(=O)/C(=C/c2ccc(Cl)c(Cl)c2)C1.CCN1C/C(=C\c2cccc(C)c2OC)C(=O)/C(=C/c2cccc(OC)c2OC)C1.CCN1C/C(=C\c2cccnc2)C(=O)/C(=C/c2cccnc2)C1
• InChI: InChI=1S/C27H33NO5.2C25H29NO4.C21H19Br2NO.C21H17Cl4NO.C19H19N3O/c1-8-28-15-21(10-19-9-17(2)18(3)23(12-19)30-4)26(29)22(16-28)11-20-13-24(31-5)27(33-7)25(14-20)32-6;1-6-26-15-18(13-20-17(2)9-7-10-22(20)28-3)25(27)19(16-26)14-21-23(29-4)11-8-12-24(21)30-5;1-6-26-15-20(13-18-10-7-9-17(2)24(18)29-4)23(27)21(16-26)14-19-11-8-12-22(28-3)25(19)30-5;1-2-24-13-17(11-15-3-7-19(22)8-4-15)21(25)18(14-24)12-16-5-9-20(23)10-6-16;1-2-26-11-15(7-13-3-5-17(22)19(24)9-13)21(27)16(12-26)8-14-4-6-18(23)20(25)10-14;1-2-22-13-17(9-15-5-3-7-20-11-15)19(23)18(14-22)10-16-6-4-8-21-12-16/h9-14H,8,15-16H2,1-7H3;2*7-14H,6,15-16H2,1-5H3;3-12H,2,13-14H2,1H3;3-10H,2,11-12H2,1H3;3-12H,2,13-14H2,1H3/b21-10+,22-11+;18-13+,19-14+;20-13+,21-14+;17-11+,18-12+;15-7+,16-8+;17-9+,18-10+
• InChIKey: NZMFTZIXQVSVIZ-FNZIJARTSA-N
• XLogP: 28.60
• TPSA: 239.94 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 28
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2474.35
LogP ≤ 5	28.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'ene_one_ene_A(57)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-3,5-bis[(4-bromophenyl)methylidene]-1-ethylpiperidin-4-one;(3E,5E)-3,5-bis[(3,4-dichlorophenyl)methylidene]-1-ethylpiperidin-4-one;(3E,5E)-3-[(2,3-dimethoxyphenyl)methylidene]-1-ethyl-5-[(2-methoxy-3-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-3-[(2,6-dimethoxyphenyl)methylidene]-1-ethyl-5-[(2-methoxy-6-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-1-ethyl-3,5-bis(pyridin-3-ylmethylidene)piperidin-4-one;(3E,5E)-1-ethyl-3-[(3-methoxy-4,5-dimethylphenyl)methylidene]-5-[(3,4,5-trimethoxyphenyl)methylidene]piperidin-4-one?

The IUPAC name of (3E,5E)-3,5-bis[(4-bromophenyl)methylidene]-1-ethylpiperidin-4-one;(3E,5E)-3,5-bis[(3,4-dichlorophenyl)methylidene]-1-ethylpiperidin-4-one;(3E,5E)-3-[(2,3-dimethoxyphenyl)methylidene]-1-ethyl-5-[(2-methoxy-3-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-3-[(2,6-dimethoxyphenyl)methylidene]-1-ethyl-5-[(2-methoxy-6-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-1-ethyl-3,5-bis(pyridin-3-ylmethylidene)piperidin-4-one;(3E,5E)-1-ethyl-3-[(3-methoxy-4,5-dimethylphenyl)methylidene]-5-[(3,4,5-trimethoxyphenyl)methylidene]piperidin-4-one (CID 159929735) is (3E,5E)-3,5-bis[(4-bromophenyl)methylidene]-1-ethylpiperidin-4-one;(3E,5E)-3,5-bis[(3,4-dichlorophenyl)methylidene]-1-ethylpiperidin-4-one;(3E,5E)-3-[(2,3-dimethoxyphenyl)methylidene]-1-ethyl-5-[(2-methoxy-3-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-3-[(2,6-dimethoxyphenyl)methylidene]-1-ethyl-5-[(2-methoxy-6-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-1-ethyl-3,5-bis(pyridin-3-ylmethylidene)piperidin-4-one;(3E,5E)-1-ethyl-3-[(3-methoxy-4,5-dimethylphenyl)methylidene]-5-[(3,4,5-trimethoxyphenyl)methylidene]piperidin-4-one.

What is the SMILES notation for (3E,5E)-3,5-bis[(4-bromophenyl)methylidene]-1-ethylpiperidin-4-one;(3E,5E)-3,5-bis[(3,4-dichlorophenyl)methylidene]-1-ethylpiperidin-4-one;(3E,5E)-3-[(2,3-dimethoxyphenyl)methylidene]-1-ethyl-5-[(2-methoxy-3-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-3-[(2,6-dimethoxyphenyl)methylidene]-1-ethyl-5-[(2-methoxy-6-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-1-ethyl-3,5-bis(pyridin-3-ylmethylidene)piperidin-4-one;(3E,5E)-1-ethyl-3-[(3-methoxy-4,5-dimethylphenyl)methylidene]-5-[(3,4,5-trimethoxyphenyl)methylidene]piperidin-4-one?

The canonical SMILES for (3E,5E)-3,5-bis[(4-bromophenyl)methylidene]-1-ethylpiperidin-4-one;(3E,5E)-3,5-bis[(3,4-dichlorophenyl)methylidene]-1-ethylpiperidin-4-one;(3E,5E)-3-[(2,3-dimethoxyphenyl)methylidene]-1-ethyl-5-[(2-methoxy-3-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-3-[(2,6-dimethoxyphenyl)methylidene]-1-ethyl-5-[(2-methoxy-6-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-1-ethyl-3,5-bis(pyridin-3-ylmethylidene)piperidin-4-one;(3E,5E)-1-ethyl-3-[(3-methoxy-4,5-dimethylphenyl)methylidene]-5-[(3,4,5-trimethoxyphenyl)methylidene]piperidin-4-one is CCN1C/C(=C\c2c(C)cccc2OC)C(=O)/C(=C/c2c(OC)cccc2OC)C1.CCN1C/C(=C\c2cc(C)c(C)c(OC)c2)C(=O)/C(=C/c2cc(OC)c(OC)c(OC)c2)C1.CCN1C/C(=C\c2ccc(Br)cc2)C(=O)/C(=C/c2ccc(Br)cc2)C1.CCN1C/C(=C\c2ccc(Cl)c(Cl)c2)C(=O)/C(=C/c2ccc(Cl)c(Cl)c2)C1.CCN1C/C(=C\c2cccc(C)c2OC)C(=O)/C(=C/c2cccc(OC)c2OC)C1.CCN1C/C(=C\c2cccnc2)C(=O)/C(=C/c2cccnc2)C1.

What is the InChIKey of (3E,5E)-3,5-bis[(4-bromophenyl)methylidene]-1-ethylpiperidin-4-one;(3E,5E)-3,5-bis[(3,4-dichlorophenyl)methylidene]-1-ethylpiperidin-4-one;(3E,5E)-3-[(2,3-dimethoxyphenyl)methylidene]-1-ethyl-5-[(2-methoxy-3-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-3-[(2,6-dimethoxyphenyl)methylidene]-1-ethyl-5-[(2-methoxy-6-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-1-ethyl-3,5-bis(pyridin-3-ylmethylidene)piperidin-4-one;(3E,5E)-1-ethyl-3-[(3-methoxy-4,5-dimethylphenyl)methylidene]-5-[(3,4,5-trimethoxyphenyl)methylidene]piperidin-4-one?

The InChIKey is NZMFTZIXQVSVIZ-FNZIJARTSA-N. The full InChI is InChI=1S/C27H33NO5.2C25H29NO4.C21H19Br2NO.C21H17Cl4NO.C19H19N3O/c1-8-28-15-21(10-19-9-17(2)18(3)23(12-19)30-4)26(29)22(16-28)11-20-13-24(31-5)27(33-7)25(14-20)32-6;1-6-26-15-18(13-20-17(2)9-7-10-22(20)28-3)25(27)19(16-26)14-21-23(29-4)11-8-12-24(21)30-5;1-6-26-15-20(13-18-10-7-9-17(2)24(18)29-4)23(27)21(16-26)14-19-11-8-12-22(28-3)25(19)30-5;1-2-24-13-17(11-15-3-7-19(22)8-4-15)21(25)18(14-24)12-16-5-9-20(23)10-6-16;1-2-26-11-15(7-13-3-5-17(22)19(24)9-13)21(27)16(12-26)8-14-4-6-18(23)20(25)10-14;1-2-22-13-17(9-15-5-3-7-20-11-15)19(23)18(14-22)10-16-6-4-8-21-12-16/h9-14H,8,15-16H2,1-7H3;2*7-14H,6,15-16H2,1-5H3;3-12H,2,13-14H2,1H3;3-10H,2,11-12H2,1H3;3-12H,2,13-14H2,1H3/b21-10+,22-11+;18-13+,19-14+;20-13+,21-14+;17-11+,18-12+;15-7+,16-8+;17-9+,18-10+.

What are the key properties of (3E,5E)-3,5-bis[(4-bromophenyl)methylidene]-1-ethylpiperidin-4-one;(3E,5E)-3,5-bis[(3,4-dichlorophenyl)methylidene]-1-ethylpiperidin-4-one;(3E,5E)-3-[(2,3-dimethoxyphenyl)methylidene]-1-ethyl-5-[(2-methoxy-3-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-3-[(2,6-dimethoxyphenyl)methylidene]-1-ethyl-5-[(2-methoxy-6-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-1-ethyl-3,5-bis(pyridin-3-ylmethylidene)piperidin-4-one;(3E,5E)-1-ethyl-3-[(3-methoxy-4,5-dimethylphenyl)methylidene]-5-[(3,4,5-trimethoxyphenyl)methylidene]piperidin-4-one?

(3E,5E)-3,5-bis[(4-bromophenyl)methylidene]-1-ethylpiperidin-4-one;(3E,5E)-3,5-bis[(3,4-dichlorophenyl)methylidene]-1-ethylpiperidin-4-one;(3E,5E)-3-[(2,3-dimethoxyphenyl)methylidene]-1-ethyl-5-[(2-methoxy-3-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-3-[(2,6-dimethoxyphenyl)methylidene]-1-ethyl-5-[(2-methoxy-6-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-1-ethyl-3,5-bis(pyridin-3-ylmethylidene)piperidin-4-one;(3E,5E)-1-ethyl-3-[(3-methoxy-4,5-dimethylphenyl)methylidene]-5-[(3,4,5-trimethoxyphenyl)methylidene]piperidin-4-one has a molecular weight of 2474.35 g/mol, XLogP of 28.60, 28 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for (3E,5E)-3,5-bis[(4-bromophenyl)methylidene]-1-ethylpiperidin-4-one;(3E,5E)-3,5-bis[(3,4-dichlorophenyl)methylidene]-1-ethylpiperidin-4-one;(3E,5E)-3-[(2,3-dimethoxyphenyl)methylidene]-1-ethyl-5-[(2-methoxy-3-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-3-[(2,6-dimethoxyphenyl)methylidene]-1-ethyl-5-[(2-methoxy-6-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-1-ethyl-3,5-bis(pyridin-3-ylmethylidene)piperidin-4-one;(3E,5E)-1-ethyl-3-[(3-methoxy-4,5-dimethylphenyl)methylidene]-5-[(3,4,5-trimethoxyphenyl)methylidene]piperidin-4-one is sourced from PubChem (CID 159929735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).