(3E,5E)-1-benzoyl-3-[(3,4-difluorophenyl)methylidene]-5-[(4-fluoro-3-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[(3,4-difluorophenyl)methylidene]-5-[(4-fluoro-3-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-1-[(3,4-difluorophenyl)methyl]-3-[(3,4-difluorophenyl)methylidene]-5-[(4-fluoro-3-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-3-[(3,4-difluorophenyl)methylidene]-1-[2-(dimethylamino)acetyl]-5-[(4-fluoro-3-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-3-[(3,4-difluorophenyl)methylidene]-1-[2-(dimethylamino)ethylsulfonyl]-5-[(4-fluoro-3-methylphenyl)methylidene]piperidin-4-one;2-(dimethylamino)ethyl (3E,5E)-3-[(3,4-difluorophenyl)methylidene]-5-[(4-fluoro-3-methylphenyl)methylidene]-4-oxopiperidine-1-carboxylate

C156H133F26N9O12S — CID 163933918

IUPAC(3E,5E)-1-benzoyl-3-[(3,4-difluorophenyl)methylidene]-5-[(4-fluoro-3-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[(3,4-difluorophenyl)methylidene]-5-[(4-fluoro-3-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-1-[(3,4-difluorophenyl)methyl]-3-[(3,4-difluorophenyl)methylidene]-5-[(4-fluoro-3-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-3-[(3,4-difluorophenyl)methylidene]-1-[2-(dimethylamino)acetyl]-5-[(4-fluoro-3-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-3-[(3,4-difluorophenyl)methylidene]-1-[2-(dimethylamino)ethylsulfonyl]-5-[(4-fluoro-3-methylphenyl)methylidene]piperidin-4-one;2-(dimethylamino)ethyl (3E,5E)-3-[(3,4-difluorophenyl)methylidene]-5-[(4-fluoro-3-methylphenyl)methylidene]-4-oxopiperidine-1-carboxylate
SMILESCc1cc(/C=C2\CN(C(=O)CN(C)C)C/C(=C\c3ccc(F)c(F)c3)C2=O)ccc1F.Cc1cc(/C=C2\CN(C(=O)OCCN(C)C)C/C(=C\c3ccc(F)c(F)c3)C2=O)ccc1F.Cc1cc(/C=C2\CN(C(=O)c3ccccc3)C/C(=C\c3ccc(F)c(F)c3)C2=O)ccc1F.Cc1cc(/C=C2\CN(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C/C(=C\c3ccc(F)c(F)c3)C2=O)ccc1F.Cc1cc(/C=C2\CN(Cc3ccc(F)c(F)c3)C/C(=C\c3ccc(F)c(F)c3)C2=O)ccc1F.Cc1cc(/C=C2\CN(S(=O)(=O)CCN(C)C)C/C(=C\c3ccc(F)c(F)c3)C2=O)ccc1F
InChIInChI=1S/C29H20F9NO.C27H20F5NO.C27H20F3NO2.C25H25F3N2O3.C24H25F3N2O3S.C24H23F3N2O2/c1-16-6-17(2-4-24(16)30)7-20-14-39(15-21(27(20)40)8-18-3-5-25(31)26(32)11-18)13-19-9-22(28(33,34)35)12-23(10-19)29(36,37)38;1-16-8-17(2-5-22(16)28)9-20-14-33(13-19-4-7-24(30)26(32)12-19)15-21(27(20)34)10-18-3-6-23(29)25(31)11-18;1-17-11-18(7-9-23(17)28)12-21-15-31(27(33)20-5-3-2-4-6-20)16-22(26(21)32)13-19-8-10-24(29)25(30)14-19;1-16-10-17(4-6-21(16)26)11-19-14-30(25(32)33-9-8-29(2)3)15-20(24(19)31)12-18-5-7-22(27)23(28)13-18;1-16-10-17(4-6-21(16)25)11-19-14-29(33(31,32)9-8-28(2)3)15-20(24(19)30)12-18-5-7-22(26)23(27)13-18;1-15-8-16(4-6-20(15)25)9-18-12-29(23(30)14-28(2)3)13-19(24(18)31)10-17-5-7-21(26)22(27)11-17/h2-12H,13-15H2,1H3;2-12H,13-15H2,1H3;2-14H,15-16H2,1H3;2*4-7,10-13H,8-9,14-15H2,1-3H3;4-11H,12-14H2,1-3H3/b20-7+,21-8+;20-9+,21-10+;21-12+,22-13+;2*19-11+,20-12+;18-9+,19-10+
InChIKeyRLBBRYLUIGGXRS-AYKKHOKLSA-N
MW2851.85 g/mol
LogP31.82
Rot. Bonds26

About (3E,5E)-1-benzoyl-3-[(3,4-difluorophenyl)methylidene]-5-[(4-fluoro-3-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[(3,4-difluorophenyl)methylidene]-5-[(4-fluoro-3-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-1-[(3,4-difluorophenyl)methyl]-3-[(3,4-difluorophenyl)methylidene]-5-[(4-fluoro-3-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-3-[(3,4-difluorophenyl)methylidene]-1-[2-(dimethylamino)acetyl]-5-[(4-fluoro-3-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-3-[(3,4-difluorophenyl)methylidene]-1-[2-(dimethylamino)ethylsulfonyl]-5-[(4-fluoro-3-methylphenyl)methylidene]piperidin-4-one;2-(dimethylamino)ethyl (3E,5E)-3-[(3,4-difluorophenyl)methylidene]-5-[(4-fluoro-3-methylphenyl)methylidene]-4-oxopiperidine-1-carboxylate

(3E,5E)-1-benzoyl-3-[(3,4-difluorophenyl)methylidene]-5-[(4-fluoro-3-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[(3,4-difluorophenyl)methylidene]-5-[(4-fluoro-3-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-1-[(3,4-difluorophenyl)methyl]-3-[(3,4-difluorophenyl)methylidene]-5-[(4-fluoro-3-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-3-[(3,4-difluorophenyl)methylidene]-1-[2-(dimethylamino)acetyl]-5-[(4-fluoro-3-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-3-[(3,4-difluorophenyl)methylidene]-1-[2-(dimethylamino)ethylsulfonyl]-5-[(4-fluoro-3-methylphenyl)methylidene]piperidin-4-one;2-(dimethylamino)ethyl (3E,5E)-3-[(3,4-difluorophenyl)methylidene]-5-[(4-fluoro-3-methylphenyl)methylidene]-4-oxopiperidine-1-carboxylate (PubChem CID 163933918) has the molecular formula C156H133F26N9O12S and a molecular weight of 2851.85 g/mol. Its IUPAC name is (3E,5E)-1-benzoyl-3-[(3,4-difluorophenyl)methylidene]-5-[(4-fluoro-3-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[(3,4-difluorophenyl)methylidene]-5-[(4-fluoro-3-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-1-[(3,4-difluorophenyl)methyl]-3-[(3,4-difluorophenyl)methylidene]-5-[(4-fluoro-3-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-3-[(3,4-difluorophenyl)methylidene]-1-[2-(dimethylamino)acetyl]-5-[(4-fluoro-3-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-3-[(3,4-difluorophenyl)methylidene]-1-[2-(dimethylamino)ethylsulfonyl]-5-[(4-fluoro-3-methylphenyl)methylidene]piperidin-4-one;2-(dimethylamino)ethyl (3E,5E)-3-[(3,4-difluorophenyl)methylidene]-5-[(4-fluoro-3-methylphenyl)methylidene]-4-oxopiperidine-1-carboxylate.

Molecular Properties

Compound Name(3E,5E)-1-benzoyl-3-[(3,4-difluorophenyl)methylidene]-5-[(4-fluoro-3-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[(3,4-difluorophenyl)methylidene]-5-[(4-fluoro-3-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-1-[(3,4-difluorophenyl)methyl]-3-[(3,4-difluorophenyl)methylidene]-5-[(4-fluoro-3-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-3-[(3,4-difluorophenyl)methylidene]-1-[2-(dimethylamino)acetyl]-5-[(4-fluoro-3-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-3-[(3,4-difluorophenyl)methylidene]-1-[2-(dimethylamino)ethylsulfonyl]-5-[(4-fluoro-3-methylphenyl)methylidene]piperidin-4-one;2-(dimethylamino)ethyl (3E,5E)-3-[(3,4-difluorophenyl)methylidene]-5-[(4-fluoro-3-methylphenyl)methylidene]-4-oxopiperidine-1-carboxylate
PubChem CID163933918
Molecular FormulaC156H133F26N9O12S
Molecular Weight2851.85 g/mol
Exact Mass2849.94
IUPAC Name(3E,5E)-1-benzoyl-3-[(3,4-difluorophenyl)methylidene]-5-[(4-fluoro-3-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[(3,4-difluorophenyl)methylidene]-5-[(4-fluoro-3-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-1-[(3,4-difluorophenyl)methyl]-3-[(3,4-difluorophenyl)methylidene]-5-[(4-fluoro-3-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-3-[(3,4-difluorophenyl)methylidene]-1-[2-(dimethylamino)acetyl]-5-[(4-fluoro-3-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-3-[(3,4-difluorophenyl)methylidene]-1-[2-(dimethylamino)ethylsulfonyl]-5-[(4-fluoro-3-methylphenyl)methylidene]piperidin-4-one;2-(dimethylamino)ethyl (3E,5E)-3-[(3,4-difluorophenyl)methylidene]-5-[(4-fluoro-3-methylphenyl)methylidene]-4-oxopiperidine-1-carboxylate
SMILESCc1cc(/C=C2\CN(C(=O)CN(C)C)C/C(=C\c3ccc(F)c(F)c3)C2=O)ccc1F.Cc1cc(/C=C2\CN(C(=O)OCCN(C)C)C/C(=C\c3ccc(F)c(F)c3)C2=O)ccc1F.Cc1cc(/C=C2\CN(C(=O)c3ccccc3)C/C(=C\c3ccc(F)c(F)c3)C2=O)ccc1F.Cc1cc(/C=C2\CN(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C/C(=C\c3ccc(F)c(F)c3)C2=O)ccc1F.Cc1cc(/C=C2\CN(Cc3ccc(F)c(F)c3)C/C(=C\c3ccc(F)c(F)c3)C2=O)ccc1F.Cc1cc(/C=C2\CN(S(=O)(=O)CCN(C)C)C/C(=C\c3ccc(F)c(F)c3)C2=O)ccc1F
InChIInChI=1S/C29H20F9NO.C27H20F5NO.C27H20F3NO2.C25H25F3N2O3.C24H25F3N2O3S.C24H23F3N2O2/c1-16-6-17(2-4-24(16)30)7-20-14-39(15-21(27(20)40)8-18-3-5-25(31)26(32)11-18)13-19-9-22(28(33,34)35)12-23(10-19)29(36,37)38;1-16-8-17(2-5-22(16)28)9-20-14-33(13-19-4-7-24(30)26(32)12-19)15-21(27(20)34)10-18-3-6-23(29)25(31)11-18;1-17-11-18(7-9-23(17)28)12-21-15-31(27(33)20-5-3-2-4-6-20)16-22(26(21)32)13-19-8-10-24(29)25(30)14-19;1-16-10-17(4-6-21(16)26)11-19-14-30(25(32)33-9-8-29(2)3)15-20(24(19)31)12-18-5-7-22(27)23(28)13-18;1-16-10-17(4-6-21(16)25)11-19-14-29(33(31,32)9-8-28(2)3)15-20(24(19)30)12-18-5-7-22(26)23(27)13-18;1-15-8-16(4-6-20(15)25)9-18-12-29(23(30)14-28(2)3)13-19(24(18)31)10-17-5-7-21(26)22(27)11-17/h2-12H,13-15H2,1H3;2-12H,13-15H2,1H3;2-14H,15-16H2,1H3;2*4-7,10-13H,8-9,14-15H2,1-3H3;4-11H,12-14H2,1-3H3/b20-7+,21-8+;20-9+,21-10+;21-12+,22-13+;2*19-11+,20-12+;18-9+,19-10+
InChIKeyRLBBRYLUIGGXRS-AYKKHOKLSA-N
XLogP31.82
TPSA226.16 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds26
Heavy Atoms204
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002851.85
LogP ≤ 531.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze (3E,5E)-1-benzoyl-3-[(3,4-difluorophenyl)methylidene]-5-[(4-fluoro-3-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[(3,4-difluorophenyl)methylidene]-5-[(4-fluoro-3-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-1-[(3,4-difluorophenyl)methyl]-3-[(3,4-difluorophenyl)methylidene]-5-[(4-fluoro-3-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-3-[(3,4-difluorophenyl)methylidene]-1-[2-(dimethylamino)acetyl]-5-[(4-fluoro-3-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-3-[(3,4-difluorophenyl)methylidene]-1-[2-(dimethylamino)ethylsulfonyl]-5-[(4-fluoro-3-methylphenyl)methylidene]piperidin-4-one;2-(dimethylamino)ethyl (3E,5E)-3-[(3,4-difluorophenyl)methylidene]-5-[(4-fluoro-3-methylphenyl)methylidene]-4-oxopiperidine-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3E,5E)-1-benzoyl-3-[(3,4-difluorophenyl)methylidene]-5-[(4-fluoro-3-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[(3,4-difluorophenyl)methylidene]-5-[(4-fluoro-3-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-1-[(3,4-difluorophenyl)methyl]-3-[(3,4-difluorophenyl)methylidene]-5-[(4-fluoro-3-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-3-[(3,4-difluorophenyl)methylidene]-1-[2-(dimethylamino)acetyl]-5-[(4-fluoro-3-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-3-[(3,4-difluorophenyl)methylidene]-1-[2-(dimethylamino)ethylsulfonyl]-5-[(4-fluoro-3-methylphenyl)methylidene]piperidin-4-one;2-(dimethylamino)ethyl (3E,5E)-3-[(3,4-difluorophenyl)methylidene]-5-[(4-fluoro-3-methylphenyl)methylidene]-4-oxopiperidine-1-carboxylate?
The IUPAC name of (3E,5E)-1-benzoyl-3-[(3,4-difluorophenyl)methylidene]-5-[(4-fluoro-3-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[(3,4-difluorophenyl)methylidene]-5-[(4-fluoro-3-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-1-[(3,4-difluorophenyl)methyl]-3-[(3,4-difluorophenyl)methylidene]-5-[(4-fluoro-3-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-3-[(3,4-difluorophenyl)methylidene]-1-[2-(dimethylamino)acetyl]-5-[(4-fluoro-3-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-3-[(3,4-difluorophenyl)methylidene]-1-[2-(dimethylamino)ethylsulfonyl]-5-[(4-fluoro-3-methylphenyl)methylidene]piperidin-4-one;2-(dimethylamino)ethyl (3E,5E)-3-[(3,4-difluorophenyl)methylidene]-5-[(4-fluoro-3-methylphenyl)methylidene]-4-oxopiperidine-1-carboxylate (CID 163933918) is (3E,5E)-1-benzoyl-3-[(3,4-difluorophenyl)methylidene]-5-[(4-fluoro-3-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[(3,4-difluorophenyl)methylidene]-5-[(4-fluoro-3-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-1-[(3,4-difluorophenyl)methyl]-3-[(3,4-difluorophenyl)methylidene]-5-[(4-fluoro-3-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-3-[(3,4-difluorophenyl)methylidene]-1-[2-(dimethylamino)acetyl]-5-[(4-fluoro-3-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-3-[(3,4-difluorophenyl)methylidene]-1-[2-(dimethylamino)ethylsulfonyl]-5-[(4-fluoro-3-methylphenyl)methylidene]piperidin-4-one;2-(dimethylamino)ethyl (3E,5E)-3-[(3,4-difluorophenyl)methylidene]-5-[(4-fluoro-3-methylphenyl)methylidene]-4-oxopiperidine-1-carboxylate.
What is the SMILES notation for (3E,5E)-1-benzoyl-3-[(3,4-difluorophenyl)methylidene]-5-[(4-fluoro-3-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[(3,4-difluorophenyl)methylidene]-5-[(4-fluoro-3-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-1-[(3,4-difluorophenyl)methyl]-3-[(3,4-difluorophenyl)methylidene]-5-[(4-fluoro-3-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-3-[(3,4-difluorophenyl)methylidene]-1-[2-(dimethylamino)acetyl]-5-[(4-fluoro-3-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-3-[(3,4-difluorophenyl)methylidene]-1-[2-(dimethylamino)ethylsulfonyl]-5-[(4-fluoro-3-methylphenyl)methylidene]piperidin-4-one;2-(dimethylamino)ethyl (3E,5E)-3-[(3,4-difluorophenyl)methylidene]-5-[(4-fluoro-3-methylphenyl)methylidene]-4-oxopiperidine-1-carboxylate?
The canonical SMILES for (3E,5E)-1-benzoyl-3-[(3,4-difluorophenyl)methylidene]-5-[(4-fluoro-3-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[(3,4-difluorophenyl)methylidene]-5-[(4-fluoro-3-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-1-[(3,4-difluorophenyl)methyl]-3-[(3,4-difluorophenyl)methylidene]-5-[(4-fluoro-3-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-3-[(3,4-difluorophenyl)methylidene]-1-[2-(dimethylamino)acetyl]-5-[(4-fluoro-3-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-3-[(3,4-difluorophenyl)methylidene]-1-[2-(dimethylamino)ethylsulfonyl]-5-[(4-fluoro-3-methylphenyl)methylidene]piperidin-4-one;2-(dimethylamino)ethyl (3E,5E)-3-[(3,4-difluorophenyl)methylidene]-5-[(4-fluoro-3-methylphenyl)methylidene]-4-oxopiperidine-1-carboxylate is Cc1cc(/C=C2\CN(C(=O)CN(C)C)C/C(=C\c3ccc(F)c(F)c3)C2=O)ccc1F.Cc1cc(/C=C2\CN(C(=O)OCCN(C)C)C/C(=C\c3ccc(F)c(F)c3)C2=O)ccc1F.Cc1cc(/C=C2\CN(C(=O)c3ccccc3)C/C(=C\c3ccc(F)c(F)c3)C2=O)ccc1F.Cc1cc(/C=C2\CN(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C/C(=C\c3ccc(F)c(F)c3)C2=O)ccc1F.Cc1cc(/C=C2\CN(Cc3ccc(F)c(F)c3)C/C(=C\c3ccc(F)c(F)c3)C2=O)ccc1F.Cc1cc(/C=C2\CN(S(=O)(=O)CCN(C)C)C/C(=C\c3ccc(F)c(F)c3)C2=O)ccc1F.
What is the InChIKey of (3E,5E)-1-benzoyl-3-[(3,4-difluorophenyl)methylidene]-5-[(4-fluoro-3-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[(3,4-difluorophenyl)methylidene]-5-[(4-fluoro-3-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-1-[(3,4-difluorophenyl)methyl]-3-[(3,4-difluorophenyl)methylidene]-5-[(4-fluoro-3-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-3-[(3,4-difluorophenyl)methylidene]-1-[2-(dimethylamino)acetyl]-5-[(4-fluoro-3-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-3-[(3,4-difluorophenyl)methylidene]-1-[2-(dimethylamino)ethylsulfonyl]-5-[(4-fluoro-3-methylphenyl)methylidene]piperidin-4-one;2-(dimethylamino)ethyl (3E,5E)-3-[(3,4-difluorophenyl)methylidene]-5-[(4-fluoro-3-methylphenyl)methylidene]-4-oxopiperidine-1-carboxylate?
The InChIKey is RLBBRYLUIGGXRS-AYKKHOKLSA-N. The full InChI is InChI=1S/C29H20F9NO.C27H20F5NO.C27H20F3NO2.C25H25F3N2O3.C24H25F3N2O3S.C24H23F3N2O2/c1-16-6-17(2-4-24(16)30)7-20-14-39(15-21(27(20)40)8-18-3-5-25(31)26(32)11-18)13-19-9-22(28(33,34)35)12-23(10-19)29(36,37)38;1-16-8-17(2-5-22(16)28)9-20-14-33(13-19-4-7-24(30)26(32)12-19)15-21(27(20)34)10-18-3-6-23(29)25(31)11-18;1-17-11-18(7-9-23(17)28)12-21-15-31(27(33)20-5-3-2-4-6-20)16-22(26(21)32)13-19-8-10-24(29)25(30)14-19;1-16-10-17(4-6-21(16)26)11-19-14-30(25(32)33-9-8-29(2)3)15-20(24(19)31)12-18-5-7-22(27)23(28)13-18;1-16-10-17(4-6-21(16)25)11-19-14-29(33(31,32)9-8-28(2)3)15-20(24(19)30)12-18-5-7-22(26)23(27)13-18;1-15-8-16(4-6-20(15)25)9-18-12-29(23(30)14-28(2)3)13-19(24(18)31)10-17-5-7-21(26)22(27)11-17/h2-12H,13-15H2,1H3;2-12H,13-15H2,1H3;2-14H,15-16H2,1H3;2*4-7,10-13H,8-9,14-15H2,1-3H3;4-11H,12-14H2,1-3H3/b20-7+,21-8+;20-9+,21-10+;21-12+,22-13+;2*19-11+,20-12+;18-9+,19-10+.
What are the key properties of (3E,5E)-1-benzoyl-3-[(3,4-difluorophenyl)methylidene]-5-[(4-fluoro-3-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[(3,4-difluorophenyl)methylidene]-5-[(4-fluoro-3-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-1-[(3,4-difluorophenyl)methyl]-3-[(3,4-difluorophenyl)methylidene]-5-[(4-fluoro-3-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-3-[(3,4-difluorophenyl)methylidene]-1-[2-(dimethylamino)acetyl]-5-[(4-fluoro-3-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-3-[(3,4-difluorophenyl)methylidene]-1-[2-(dimethylamino)ethylsulfonyl]-5-[(4-fluoro-3-methylphenyl)methylidene]piperidin-4-one;2-(dimethylamino)ethyl (3E,5E)-3-[(3,4-difluorophenyl)methylidene]-5-[(4-fluoro-3-methylphenyl)methylidene]-4-oxopiperidine-1-carboxylate?
(3E,5E)-1-benzoyl-3-[(3,4-difluorophenyl)methylidene]-5-[(4-fluoro-3-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[(3,4-difluorophenyl)methylidene]-5-[(4-fluoro-3-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-1-[(3,4-difluorophenyl)methyl]-3-[(3,4-difluorophenyl)methylidene]-5-[(4-fluoro-3-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-3-[(3,4-difluorophenyl)methylidene]-1-[2-(dimethylamino)acetyl]-5-[(4-fluoro-3-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-3-[(3,4-difluorophenyl)methylidene]-1-[2-(dimethylamino)ethylsulfonyl]-5-[(4-fluoro-3-methylphenyl)methylidene]piperidin-4-one;2-(dimethylamino)ethyl (3E,5E)-3-[(3,4-difluorophenyl)methylidene]-5-[(4-fluoro-3-methylphenyl)methylidene]-4-oxopiperidine-1-carboxylate has a molecular weight of 2851.85 g/mol, XLogP of 31.82, 26 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-1-benzoyl-3-[(3,4-difluorophenyl)methylidene]-5-[(4-fluoro-3-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[(3,4-difluorophenyl)methylidene]-5-[(4-fluoro-3-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-1-[(3,4-difluorophenyl)methyl]-3-[(3,4-difluorophenyl)methylidene]-5-[(4-fluoro-3-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-3-[(3,4-difluorophenyl)methylidene]-1-[2-(dimethylamino)acetyl]-5-[(4-fluoro-3-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-3-[(3,4-difluorophenyl)methylidene]-1-[2-(dimethylamino)ethylsulfonyl]-5-[(4-fluoro-3-methylphenyl)methylidene]piperidin-4-one;2-(dimethylamino)ethyl (3E,5E)-3-[(3,4-difluorophenyl)methylidene]-5-[(4-fluoro-3-methylphenyl)methylidene]-4-oxopiperidine-1-carboxylate is sourced from PubChem (CID 163933918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).