(3E,5E)-3,5-bis[(2-chloro-3-methylphenyl)methylidene]-1-[3-(dimethylamino)propanoyl]piperidin-4-one;(3E,5E)-3-[(4-chloro-2-fluorophenyl)methylidene]-1-[3-(dimethylamino)propanoyl]-5-[(2-fluoro-4-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-3-[(3-chloro-5-methylphenyl)methylidene]-5-[(3,5-dichlorophenyl)methylidene]-1-[3-(dimethylamino)propanoyl]piperidin-4-one;(3E,5E)-3-[(4-chloro-3-methylphenyl)methylidene]-5-[(3,4-dichlorophenyl)methylidene]-1-[3-(dimethylamino)propanoyl]piperidin-4-one;(3E,5E)-1-[3-(dimethylamino)propanoyl]-3-[(3,4-dimethylphenyl)methylidene]-5-[(3-methoxy-4-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-1-[3-(dimethylamino)propanoyl]-3-[(4-fluorophenyl)methylidene]-5-[(4-methylphenyl)methylidene]piperidin-4-one

C154H164Cl9F3N12O13 — CID 163986722

IUPAC(3E,5E)-3,5-bis[(2-chloro-3-methylphenyl)methylidene]-1-[3-(dimethylamino)propanoyl]piperidin-4-one;(3E,5E)-3-[(4-chloro-2-fluorophenyl)methylidene]-1-[3-(dimethylamino)propanoyl]-5-[(2-fluoro-4-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-3-[(3-chloro-5-methylphenyl)methylidene]-5-[(3,5-dichlorophenyl)methylidene]-1-[3-(dimethylamino)propanoyl]piperidin-4-one;(3E,5E)-3-[(4-chloro-3-methylphenyl)methylidene]-5-[(3,4-dichlorophenyl)methylidene]-1-[3-(dimethylamino)propanoyl]piperidin-4-one;(3E,5E)-1-[3-(dimethylamino)propanoyl]-3-[(3,4-dimethylphenyl)methylidene]-5-[(3-methoxy-4-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-1-[3-(dimethylamino)propanoyl]-3-[(4-fluorophenyl)methylidene]-5-[(4-methylphenyl)methylidene]piperidin-4-one
SMILESCOc1cc(/C=C2\CN(C(=O)CCN(C)C)C/C(=C\c3ccc(C)c(C)c3)C2=O)ccc1C.Cc1cc(/C=C2\CN(C(=O)CCN(C)C)C/C(=C\c3ccc(Cl)c(Cl)c3)C2=O)ccc1Cl.Cc1cc(Cl)cc(/C=C2\CN(C(=O)CCN(C)C)C/C(=C\c3cc(Cl)cc(Cl)c3)C2=O)c1.Cc1ccc(/C=C2\CN(C(=O)CCN(C)C)C/C(=C\c3ccc(Cl)cc3F)C2=O)c(F)c1.Cc1ccc(/C=C2\CN(C(=O)CCN(C)C)C/C(=C\c3ccc(F)cc3)C2=O)cc1.Cc1cccc(/C=C2\CN(C(=O)CCN(C)C)C/C(=C\c3cccc(C)c3Cl)C2=O)c1Cl
InChIInChI=1S/C28H34N2O3.C26H28Cl2N2O2.2C25H25Cl3N2O2.C25H25ClF2N2O2.C25H27FN2O2/c1-19-7-9-22(13-21(19)3)14-24-17-30(27(31)11-12-29(4)5)18-25(28(24)32)15-23-10-8-20(2)26(16-23)33-6;1-17-7-5-9-19(24(17)27)13-21-15-30(23(31)11-12-29(3)4)16-22(26(21)32)14-20-10-6-8-18(2)25(20)28;1-16-10-17(4-6-21(16)26)11-19-14-30(24(31)8-9-29(2)3)15-20(25(19)32)12-18-5-7-22(27)23(28)13-18;1-16-6-17(10-21(26)7-16)8-19-14-30(24(31)4-5-29(2)3)15-20(25(19)32)9-18-11-22(27)13-23(28)12-18;1-16-4-5-17(22(27)10-16)11-19-14-30(24(31)8-9-29(2)3)15-20(25(19)32)12-18-6-7-21(26)13-23(18)28;1-18-4-6-19(7-5-18)14-21-16-28(24(29)12-13-27(2)3)17-22(25(21)30)15-20-8-10-23(26)11-9-20/h7-10,13-16H,11-12,17-18H2,1-6H3;5-10,13-14H,11-12,15-16H2,1-4H3;4-7,10-13H,8-9,14-15H2,1-3H3;6-13H,4-5,14-15H2,1-3H3;4-7,10-13H,8-9,14-15H2,1-3H3;4-11,14-15H,12-13,16-17H2,1-3H3/b24-14+,25-15+;21-13+,22-14+;19-11+,20-12+;19-8+,20-9+;19-11+,20-12+;21-14+,22-15+
InChIKeyTWZLDIYCMBCMMW-VZOYYLAMSA-N
MW2767.15 g/mol
LogP30.18
Rot. Bonds31

About (3E,5E)-3,5-bis[(2-chloro-3-methylphenyl)methylidene]-1-[3-(dimethylamino)propanoyl]piperidin-4-one;(3E,5E)-3-[(4-chloro-2-fluorophenyl)methylidene]-1-[3-(dimethylamino)propanoyl]-5-[(2-fluoro-4-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-3-[(3-chloro-5-methylphenyl)methylidene]-5-[(3,5-dichlorophenyl)methylidene]-1-[3-(dimethylamino)propanoyl]piperidin-4-one;(3E,5E)-3-[(4-chloro-3-methylphenyl)methylidene]-5-[(3,4-dichlorophenyl)methylidene]-1-[3-(dimethylamino)propanoyl]piperidin-4-one;(3E,5E)-1-[3-(dimethylamino)propanoyl]-3-[(3,4-dimethylphenyl)methylidene]-5-[(3-methoxy-4-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-1-[3-(dimethylamino)propanoyl]-3-[(4-fluorophenyl)methylidene]-5-[(4-methylphenyl)methylidene]piperidin-4-one

(3E,5E)-3,5-bis[(2-chloro-3-methylphenyl)methylidene]-1-[3-(dimethylamino)propanoyl]piperidin-4-one;(3E,5E)-3-[(4-chloro-2-fluorophenyl)methylidene]-1-[3-(dimethylamino)propanoyl]-5-[(2-fluoro-4-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-3-[(3-chloro-5-methylphenyl)methylidene]-5-[(3,5-dichlorophenyl)methylidene]-1-[3-(dimethylamino)propanoyl]piperidin-4-one;(3E,5E)-3-[(4-chloro-3-methylphenyl)methylidene]-5-[(3,4-dichlorophenyl)methylidene]-1-[3-(dimethylamino)propanoyl]piperidin-4-one;(3E,5E)-1-[3-(dimethylamino)propanoyl]-3-[(3,4-dimethylphenyl)methylidene]-5-[(3-methoxy-4-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-1-[3-(dimethylamino)propanoyl]-3-[(4-fluorophenyl)methylidene]-5-[(4-methylphenyl)methylidene]piperidin-4-one (PubChem CID 163986722) has the molecular formula C154H164Cl9F3N12O13 and a molecular weight of 2767.15 g/mol. Its IUPAC name is (3E,5E)-3,5-bis[(2-chloro-3-methylphenyl)methylidene]-1-[3-(dimethylamino)propanoyl]piperidin-4-one;(3E,5E)-3-[(4-chloro-2-fluorophenyl)methylidene]-1-[3-(dimethylamino)propanoyl]-5-[(2-fluoro-4-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-3-[(3-chloro-5-methylphenyl)methylidene]-5-[(3,5-dichlorophenyl)methylidene]-1-[3-(dimethylamino)propanoyl]piperidin-4-one;(3E,5E)-3-[(4-chloro-3-methylphenyl)methylidene]-5-[(3,4-dichlorophenyl)methylidene]-1-[3-(dimethylamino)propanoyl]piperidin-4-one;(3E,5E)-1-[3-(dimethylamino)propanoyl]-3-[(3,4-dimethylphenyl)methylidene]-5-[(3-methoxy-4-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-1-[3-(dimethylamino)propanoyl]-3-[(4-fluorophenyl)methylidene]-5-[(4-methylphenyl)methylidene]piperidin-4-one.

Molecular Properties

Compound Name(3E,5E)-3,5-bis[(2-chloro-3-methylphenyl)methylidene]-1-[3-(dimethylamino)propanoyl]piperidin-4-one;(3E,5E)-3-[(4-chloro-2-fluorophenyl)methylidene]-1-[3-(dimethylamino)propanoyl]-5-[(2-fluoro-4-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-3-[(3-chloro-5-methylphenyl)methylidene]-5-[(3,5-dichlorophenyl)methylidene]-1-[3-(dimethylamino)propanoyl]piperidin-4-one;(3E,5E)-3-[(4-chloro-3-methylphenyl)methylidene]-5-[(3,4-dichlorophenyl)methylidene]-1-[3-(dimethylamino)propanoyl]piperidin-4-one;(3E,5E)-1-[3-(dimethylamino)propanoyl]-3-[(3,4-dimethylphenyl)methylidene]-5-[(3-methoxy-4-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-1-[3-(dimethylamino)propanoyl]-3-[(4-fluorophenyl)methylidene]-5-[(4-methylphenyl)methylidene]piperidin-4-one
PubChem CID163986722
Molecular FormulaC154H164Cl9F3N12O13
Molecular Weight2767.15 g/mol
Exact Mass2760.97
IUPAC Name(3E,5E)-3,5-bis[(2-chloro-3-methylphenyl)methylidene]-1-[3-(dimethylamino)propanoyl]piperidin-4-one;(3E,5E)-3-[(4-chloro-2-fluorophenyl)methylidene]-1-[3-(dimethylamino)propanoyl]-5-[(2-fluoro-4-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-3-[(3-chloro-5-methylphenyl)methylidene]-5-[(3,5-dichlorophenyl)methylidene]-1-[3-(dimethylamino)propanoyl]piperidin-4-one;(3E,5E)-3-[(4-chloro-3-methylphenyl)methylidene]-5-[(3,4-dichlorophenyl)methylidene]-1-[3-(dimethylamino)propanoyl]piperidin-4-one;(3E,5E)-1-[3-(dimethylamino)propanoyl]-3-[(3,4-dimethylphenyl)methylidene]-5-[(3-methoxy-4-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-1-[3-(dimethylamino)propanoyl]-3-[(4-fluorophenyl)methylidene]-5-[(4-methylphenyl)methylidene]piperidin-4-one
SMILESCOc1cc(/C=C2\CN(C(=O)CCN(C)C)C/C(=C\c3ccc(C)c(C)c3)C2=O)ccc1C.Cc1cc(/C=C2\CN(C(=O)CCN(C)C)C/C(=C\c3ccc(Cl)c(Cl)c3)C2=O)ccc1Cl.Cc1cc(Cl)cc(/C=C2\CN(C(=O)CCN(C)C)C/C(=C\c3cc(Cl)cc(Cl)c3)C2=O)c1.Cc1ccc(/C=C2\CN(C(=O)CCN(C)C)C/C(=C\c3ccc(Cl)cc3F)C2=O)c(F)c1.Cc1ccc(/C=C2\CN(C(=O)CCN(C)C)C/C(=C\c3ccc(F)cc3)C2=O)cc1.Cc1cccc(/C=C2\CN(C(=O)CCN(C)C)C/C(=C\c3cccc(C)c3Cl)C2=O)c1Cl
InChIInChI=1S/C28H34N2O3.C26H28Cl2N2O2.2C25H25Cl3N2O2.C25H25ClF2N2O2.C25H27FN2O2/c1-19-7-9-22(13-21(19)3)14-24-17-30(27(31)11-12-29(4)5)18-25(28(24)32)15-23-10-8-20(2)26(16-23)33-6;1-17-7-5-9-19(24(17)27)13-21-15-30(23(31)11-12-29(3)4)16-22(26(21)32)14-20-10-6-8-18(2)25(20)28;1-16-10-17(4-6-21(16)26)11-19-14-30(24(31)8-9-29(2)3)15-20(25(19)32)12-18-5-7-22(27)23(28)13-18;1-16-6-17(10-21(26)7-16)8-19-14-30(24(31)4-5-29(2)3)15-20(25(19)32)9-18-11-22(27)13-23(28)12-18;1-16-4-5-17(22(27)10-16)11-19-14-30(24(31)8-9-29(2)3)15-20(25(19)32)12-18-6-7-21(26)13-23(18)28;1-18-4-6-19(7-5-18)14-21-16-28(24(29)12-13-27(2)3)17-22(25(21)30)15-20-8-10-23(26)11-9-20/h7-10,13-16H,11-12,17-18H2,1-6H3;5-10,13-14H,11-12,15-16H2,1-4H3;4-7,10-13H,8-9,14-15H2,1-3H3;6-13H,4-5,14-15H2,1-3H3;4-7,10-13H,8-9,14-15H2,1-3H3;4-11,14-15H,12-13,16-17H2,1-3H3/b24-14+,25-15+;21-13+,22-14+;19-11+,20-12+;19-8+,20-9+;19-11+,20-12+;21-14+,22-15+
InChIKeyTWZLDIYCMBCMMW-VZOYYLAMSA-N
XLogP30.18
TPSA252.95 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds31
Heavy Atoms191
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002767.15
LogP ≤ 530.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

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)-3,5-bis[(2-chloro-3-methylphenyl)methylidene]-1-[3-(dimethylamino)propanoyl]piperidin-4-one;(3E,5E)-3-[(4-chloro-2-fluorophenyl)methylidene]-1-[3-(dimethylamino)propanoyl]-5-[(2-fluoro-4-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-3-[(3-chloro-5-methylphenyl)methylidene]-5-[(3,5-dichlorophenyl)methylidene]-1-[3-(dimethylamino)propanoyl]piperidin-4-one;(3E,5E)-3-[(4-chloro-3-methylphenyl)methylidene]-5-[(3,4-dichlorophenyl)methylidene]-1-[3-(dimethylamino)propanoyl]piperidin-4-one;(3E,5E)-1-[3-(dimethylamino)propanoyl]-3-[(3,4-dimethylphenyl)methylidene]-5-[(3-methoxy-4-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-1-[3-(dimethylamino)propanoyl]-3-[(4-fluorophenyl)methylidene]-5-[(4-methylphenyl)methylidene]piperidin-4-one with MolForge

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Related Compounds

(3E,5E)-3-[(4-chloro-2-fluorophenyl)methylidene]-1-[3-(dimethylamino)propanoyl]-5-[(2-fluoro-4-methylphenyl)methylidene]piperidin-4-one
CID 163986724
(3E,5E)-3-[(3,4-difluorophenyl)methylidene]-1-[3-(dimethylamino)propanoyl]-5-[(4-fluoro-3-methylphenyl)methylidene]piperidin-4-one
CID 163755394
(3E,5E)-1-[3-(dimethylamino)propanoyl]-3,5-bis[(4-methoxyphenyl)methylidene]piperidin-4-one
CID 139378323
1-[(3E,5E)-3,5-bis[(3,4-difluorophenyl)methylidene]-4-oxopiperidin-1-yl]-4-(dimethylamino)butane-1,2-dione
CID 166866884
(2E,6E)-2-[(4-chloro-3-methylphenyl)methylidene]-6-[(3,4-dichlorophenyl)methylidene]cyclohexan-1-one
CID 178017938
(3E,5E)-3-[(4-fluorophenyl)methylidene]-1-methyl-5-[(4-methylphenyl)methylidene]piperidin-4-one
CID 134814020
1-chloro-2-methylbenzene;1-fluoro-3,5-dimethylbenzene;1-methoxy-2-methylbenzene;1,2-xylene;bis(1,3-xylene);pentakis(1,4-xylene)
CID 161096823
(2E,6E)-2-[(3,4-dichlorophenyl)methylidene]-6-[(4-hydroxy-3-methoxyphenyl)methylidene]cyclohexan-1-one
CID 127025747
(3Z,5E)-1-[4-[2-(dimethylamino)ethoxy]benzoyl]-3,5-bis[(4-methylphenyl)methylidene]piperidin-4-one;hydrate;hydrochloride
CID 69057809
bis(1-[4-[2-(dimethylamino)ethoxy]benzoyl]-3,5-bis[(4-methylphenyl)methylidene]piperidin-4-one);hydrate;dihydrochloride
CID 173134512
(3Z,5E)-1-acetyl-3,5-bis[(4-hydroxy-3-methoxyphenyl)methylidene]piperidin-4-one
CID 86580608
(3Z,5Z)-3,5-bis[(4-fluorophenyl)methylidene]-1-prop-2-enoylpiperidin-4-one
CID 45280989

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-3,5-bis[(2-chloro-3-methylphenyl)methylidene]-1-[3-(dimethylamino)propanoyl]piperidin-4-one;(3E,5E)-3-[(4-chloro-2-fluorophenyl)methylidene]-1-[3-(dimethylamino)propanoyl]-5-[(2-fluoro-4-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-3-[(3-chloro-5-methylphenyl)methylidene]-5-[(3,5-dichlorophenyl)methylidene]-1-[3-(dimethylamino)propanoyl]piperidin-4-one;(3E,5E)-3-[(4-chloro-3-methylphenyl)methylidene]-5-[(3,4-dichlorophenyl)methylidene]-1-[3-(dimethylamino)propanoyl]piperidin-4-one;(3E,5E)-1-[3-(dimethylamino)propanoyl]-3-[(3,4-dimethylphenyl)methylidene]-5-[(3-methoxy-4-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-1-[3-(dimethylamino)propanoyl]-3-[(4-fluorophenyl)methylidene]-5-[(4-methylphenyl)methylidene]piperidin-4-one?
The IUPAC name of (3E,5E)-3,5-bis[(2-chloro-3-methylphenyl)methylidene]-1-[3-(dimethylamino)propanoyl]piperidin-4-one;(3E,5E)-3-[(4-chloro-2-fluorophenyl)methylidene]-1-[3-(dimethylamino)propanoyl]-5-[(2-fluoro-4-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-3-[(3-chloro-5-methylphenyl)methylidene]-5-[(3,5-dichlorophenyl)methylidene]-1-[3-(dimethylamino)propanoyl]piperidin-4-one;(3E,5E)-3-[(4-chloro-3-methylphenyl)methylidene]-5-[(3,4-dichlorophenyl)methylidene]-1-[3-(dimethylamino)propanoyl]piperidin-4-one;(3E,5E)-1-[3-(dimethylamino)propanoyl]-3-[(3,4-dimethylphenyl)methylidene]-5-[(3-methoxy-4-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-1-[3-(dimethylamino)propanoyl]-3-[(4-fluorophenyl)methylidene]-5-[(4-methylphenyl)methylidene]piperidin-4-one (CID 163986722) is (3E,5E)-3,5-bis[(2-chloro-3-methylphenyl)methylidene]-1-[3-(dimethylamino)propanoyl]piperidin-4-one;(3E,5E)-3-[(4-chloro-2-fluorophenyl)methylidene]-1-[3-(dimethylamino)propanoyl]-5-[(2-fluoro-4-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-3-[(3-chloro-5-methylphenyl)methylidene]-5-[(3,5-dichlorophenyl)methylidene]-1-[3-(dimethylamino)propanoyl]piperidin-4-one;(3E,5E)-3-[(4-chloro-3-methylphenyl)methylidene]-5-[(3,4-dichlorophenyl)methylidene]-1-[3-(dimethylamino)propanoyl]piperidin-4-one;(3E,5E)-1-[3-(dimethylamino)propanoyl]-3-[(3,4-dimethylphenyl)methylidene]-5-[(3-methoxy-4-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-1-[3-(dimethylamino)propanoyl]-3-[(4-fluorophenyl)methylidene]-5-[(4-methylphenyl)methylidene]piperidin-4-one.
What is the SMILES notation for (3E,5E)-3,5-bis[(2-chloro-3-methylphenyl)methylidene]-1-[3-(dimethylamino)propanoyl]piperidin-4-one;(3E,5E)-3-[(4-chloro-2-fluorophenyl)methylidene]-1-[3-(dimethylamino)propanoyl]-5-[(2-fluoro-4-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-3-[(3-chloro-5-methylphenyl)methylidene]-5-[(3,5-dichlorophenyl)methylidene]-1-[3-(dimethylamino)propanoyl]piperidin-4-one;(3E,5E)-3-[(4-chloro-3-methylphenyl)methylidene]-5-[(3,4-dichlorophenyl)methylidene]-1-[3-(dimethylamino)propanoyl]piperidin-4-one;(3E,5E)-1-[3-(dimethylamino)propanoyl]-3-[(3,4-dimethylphenyl)methylidene]-5-[(3-methoxy-4-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-1-[3-(dimethylamino)propanoyl]-3-[(4-fluorophenyl)methylidene]-5-[(4-methylphenyl)methylidene]piperidin-4-one?
The canonical SMILES for (3E,5E)-3,5-bis[(2-chloro-3-methylphenyl)methylidene]-1-[3-(dimethylamino)propanoyl]piperidin-4-one;(3E,5E)-3-[(4-chloro-2-fluorophenyl)methylidene]-1-[3-(dimethylamino)propanoyl]-5-[(2-fluoro-4-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-3-[(3-chloro-5-methylphenyl)methylidene]-5-[(3,5-dichlorophenyl)methylidene]-1-[3-(dimethylamino)propanoyl]piperidin-4-one;(3E,5E)-3-[(4-chloro-3-methylphenyl)methylidene]-5-[(3,4-dichlorophenyl)methylidene]-1-[3-(dimethylamino)propanoyl]piperidin-4-one;(3E,5E)-1-[3-(dimethylamino)propanoyl]-3-[(3,4-dimethylphenyl)methylidene]-5-[(3-methoxy-4-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-1-[3-(dimethylamino)propanoyl]-3-[(4-fluorophenyl)methylidene]-5-[(4-methylphenyl)methylidene]piperidin-4-one is COc1cc(/C=C2\CN(C(=O)CCN(C)C)C/C(=C\c3ccc(C)c(C)c3)C2=O)ccc1C.Cc1cc(/C=C2\CN(C(=O)CCN(C)C)C/C(=C\c3ccc(Cl)c(Cl)c3)C2=O)ccc1Cl.Cc1cc(Cl)cc(/C=C2\CN(C(=O)CCN(C)C)C/C(=C\c3cc(Cl)cc(Cl)c3)C2=O)c1.Cc1ccc(/C=C2\CN(C(=O)CCN(C)C)C/C(=C\c3ccc(Cl)cc3F)C2=O)c(F)c1.Cc1ccc(/C=C2\CN(C(=O)CCN(C)C)C/C(=C\c3ccc(F)cc3)C2=O)cc1.Cc1cccc(/C=C2\CN(C(=O)CCN(C)C)C/C(=C\c3cccc(C)c3Cl)C2=O)c1Cl.
What is the InChIKey of (3E,5E)-3,5-bis[(2-chloro-3-methylphenyl)methylidene]-1-[3-(dimethylamino)propanoyl]piperidin-4-one;(3E,5E)-3-[(4-chloro-2-fluorophenyl)methylidene]-1-[3-(dimethylamino)propanoyl]-5-[(2-fluoro-4-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-3-[(3-chloro-5-methylphenyl)methylidene]-5-[(3,5-dichlorophenyl)methylidene]-1-[3-(dimethylamino)propanoyl]piperidin-4-one;(3E,5E)-3-[(4-chloro-3-methylphenyl)methylidene]-5-[(3,4-dichlorophenyl)methylidene]-1-[3-(dimethylamino)propanoyl]piperidin-4-one;(3E,5E)-1-[3-(dimethylamino)propanoyl]-3-[(3,4-dimethylphenyl)methylidene]-5-[(3-methoxy-4-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-1-[3-(dimethylamino)propanoyl]-3-[(4-fluorophenyl)methylidene]-5-[(4-methylphenyl)methylidene]piperidin-4-one?
The InChIKey is TWZLDIYCMBCMMW-VZOYYLAMSA-N. The full InChI is InChI=1S/C28H34N2O3.C26H28Cl2N2O2.2C25H25Cl3N2O2.C25H25ClF2N2O2.C25H27FN2O2/c1-19-7-9-22(13-21(19)3)14-24-17-30(27(31)11-12-29(4)5)18-25(28(24)32)15-23-10-8-20(2)26(16-23)33-6;1-17-7-5-9-19(24(17)27)13-21-15-30(23(31)11-12-29(3)4)16-22(26(21)32)14-20-10-6-8-18(2)25(20)28;1-16-10-17(4-6-21(16)26)11-19-14-30(24(31)8-9-29(2)3)15-20(25(19)32)12-18-5-7-22(27)23(28)13-18;1-16-6-17(10-21(26)7-16)8-19-14-30(24(31)4-5-29(2)3)15-20(25(19)32)9-18-11-22(27)13-23(28)12-18;1-16-4-5-17(22(27)10-16)11-19-14-30(24(31)8-9-29(2)3)15-20(25(19)32)12-18-6-7-21(26)13-23(18)28;1-18-4-6-19(7-5-18)14-21-16-28(24(29)12-13-27(2)3)17-22(25(21)30)15-20-8-10-23(26)11-9-20/h7-10,13-16H,11-12,17-18H2,1-6H3;5-10,13-14H,11-12,15-16H2,1-4H3;4-7,10-13H,8-9,14-15H2,1-3H3;6-13H,4-5,14-15H2,1-3H3;4-7,10-13H,8-9,14-15H2,1-3H3;4-11,14-15H,12-13,16-17H2,1-3H3/b24-14+,25-15+;21-13+,22-14+;19-11+,20-12+;19-8+,20-9+;19-11+,20-12+;21-14+,22-15+.
What are the key properties of (3E,5E)-3,5-bis[(2-chloro-3-methylphenyl)methylidene]-1-[3-(dimethylamino)propanoyl]piperidin-4-one;(3E,5E)-3-[(4-chloro-2-fluorophenyl)methylidene]-1-[3-(dimethylamino)propanoyl]-5-[(2-fluoro-4-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-3-[(3-chloro-5-methylphenyl)methylidene]-5-[(3,5-dichlorophenyl)methylidene]-1-[3-(dimethylamino)propanoyl]piperidin-4-one;(3E,5E)-3-[(4-chloro-3-methylphenyl)methylidene]-5-[(3,4-dichlorophenyl)methylidene]-1-[3-(dimethylamino)propanoyl]piperidin-4-one;(3E,5E)-1-[3-(dimethylamino)propanoyl]-3-[(3,4-dimethylphenyl)methylidene]-5-[(3-methoxy-4-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-1-[3-(dimethylamino)propanoyl]-3-[(4-fluorophenyl)methylidene]-5-[(4-methylphenyl)methylidene]piperidin-4-one?
(3E,5E)-3,5-bis[(2-chloro-3-methylphenyl)methylidene]-1-[3-(dimethylamino)propanoyl]piperidin-4-one;(3E,5E)-3-[(4-chloro-2-fluorophenyl)methylidene]-1-[3-(dimethylamino)propanoyl]-5-[(2-fluoro-4-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-3-[(3-chloro-5-methylphenyl)methylidene]-5-[(3,5-dichlorophenyl)methylidene]-1-[3-(dimethylamino)propanoyl]piperidin-4-one;(3E,5E)-3-[(4-chloro-3-methylphenyl)methylidene]-5-[(3,4-dichlorophenyl)methylidene]-1-[3-(dimethylamino)propanoyl]piperidin-4-one;(3E,5E)-1-[3-(dimethylamino)propanoyl]-3-[(3,4-dimethylphenyl)methylidene]-5-[(3-methoxy-4-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-1-[3-(dimethylamino)propanoyl]-3-[(4-fluorophenyl)methylidene]-5-[(4-methylphenyl)methylidene]piperidin-4-one has a molecular weight of 2767.15 g/mol, XLogP of 30.18, 31 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-3,5-bis[(2-chloro-3-methylphenyl)methylidene]-1-[3-(dimethylamino)propanoyl]piperidin-4-one;(3E,5E)-3-[(4-chloro-2-fluorophenyl)methylidene]-1-[3-(dimethylamino)propanoyl]-5-[(2-fluoro-4-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-3-[(3-chloro-5-methylphenyl)methylidene]-5-[(3,5-dichlorophenyl)methylidene]-1-[3-(dimethylamino)propanoyl]piperidin-4-one;(3E,5E)-3-[(4-chloro-3-methylphenyl)methylidene]-5-[(3,4-dichlorophenyl)methylidene]-1-[3-(dimethylamino)propanoyl]piperidin-4-one;(3E,5E)-1-[3-(dimethylamino)propanoyl]-3-[(3,4-dimethylphenyl)methylidene]-5-[(3-methoxy-4-methylphenyl)methylidene]piperidin-4-one;(3E,5E)-1-[3-(dimethylamino)propanoyl]-3-[(4-fluorophenyl)methylidene]-5-[(4-methylphenyl)methylidene]piperidin-4-one is sourced from PubChem (CID 163986722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).