tris(carbon dioxide);2-(5-chloro-2-methylphenyl)-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone;5-ethyl-2-[2-oxo-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]benzoic acid;furan-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;methyl 5-methyl-2-[2-oxo-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]benzoate;bis(2-[4-(4-methylphenyl)phenyl]-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone);2-(2-methylphenyl)-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone;2-[2-oxo-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]benzoic acid;2-[2-oxo-2-[4-[5-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethyl]benzoic acid;2-(4-phenylphenyl)-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone

C225H218ClF30N15O25 — CID 159142818

IUPACtris(carbon dioxide);2-(5-chloro-2-methylphenyl)-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone;5-ethyl-2-[2-oxo-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]benzoic acid;furan-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;methyl 5-methyl-2-[2-oxo-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]benzoate;bis(2-[4-(4-methylphenyl)phenyl]-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone);2-(2-methylphenyl)-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone;2-[2-oxo-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]benzoic acid;2-[2-oxo-2-[4-[5-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethyl]benzoic acid;2-(4-phenylphenyl)-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone
SMILESCCc1ccc(CC(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)c(C(=O)O)c1.COC(=O)c1cc(C)ccc1CC(=O)N1CCC(c2ccccc2C(F)(F)F)CC1.Cc1ccc(-c2ccc(CC(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)cc2)cc1.Cc1ccc(-c2ccc(CC(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)cc2)cc1.Cc1ccc(Cl)cc1CC(=O)N1CCC(c2ccccc2C(F)(F)F)CC1.Cc1ccccc1CC(=O)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(Cc1ccc(-c2ccccc2)cc1)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(O)c1ccccc1CC(=O)N1CCN(c2ncccc2C(F)(F)F)CC1.O=C(O)c1ccccc1CC(=O)N1CCN(c2ncncc2C(F)(F)F)CC1.O=C(c1ccco1)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C=O.O=C=O.O=C=O
InChIInChI=1S/2C27H26F3NO.C26H24F3NO.2C23H24F3NO3.C21H21ClF3NO.C21H22F3NO.C19H18F3N3O3.C18H17F3N4O3.C17H16F3NO2.3CO2/c2*1-19-6-10-21(11-7-19)22-12-8-20(9-13-22)18-26(32)31-16-14-23(15-17-31)24-4-2-3-5-25(24)27(28,29)30;27-26(28,29)24-9-5-4-8-23(24)22-14-16-30(17-15-22)25(31)18-19-10-12-21(13-11-19)20-6-2-1-3-7-20;1-15-7-8-17(19(13-15)22(29)30-2)14-21(28)27-11-9-16(10-12-27)18-5-3-4-6-20(18)23(24,25)26;1-2-15-7-8-17(19(13-15)22(29)30)14-21(28)27-11-9-16(10-12-27)18-5-3-4-6-20(18)23(24,25)26;1-14-6-7-17(22)12-16(14)13-20(27)26-10-8-15(9-11-26)18-4-2-3-5-19(18)21(23,24)25;1-15-6-2-3-7-17(15)14-20(26)25-12-10-16(11-13-25)18-8-4-5-9-19(18)21(22,23)24;20-19(21,22)15-6-3-7-23-17(15)25-10-8-24(9-11-25)16(26)12-13-4-1-2-5-14(13)18(27)28;19-18(20,21)14-10-22-11-23-16(14)25-7-5-24(6-8-25)15(26)9-12-3-1-2-4-13(12)17(27)28;18-17(19,20)14-5-2-1-4-13(14)12-7-9-21(10-8-12)16(22)15-6-3-11-23-15;3*2-1-3/h2*2-13,23H,14-18H2,1H3;1-13,22H,14-18H2;3-8,13,16H,9-12,14H2,1-2H3;3-8,13,16H,2,9-12,14H2,1H3,(H,29,30);2-7,12,15H,8-11,13H2,1H3;2-9,16H,10-14H2,1H3;1-7H,8-12H2,(H,27,28);1-4,10-11H,5-9H2,(H,27,28);1-6,11-12H,7-10H2;;;
InChIKeyKIHOWLCFMWTURT-UHFFFAOYSA-N
MW4137.69 g/mol
LogP47.16
Rot. Bonds37

About tris(carbon dioxide);2-(5-chloro-2-methylphenyl)-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone;5-ethyl-2-[2-oxo-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]benzoic acid;furan-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;methyl 5-methyl-2-[2-oxo-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]benzoate;bis(2-[4-(4-methylphenyl)phenyl]-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone);2-(2-methylphenyl)-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone;2-[2-oxo-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]benzoic acid;2-[2-oxo-2-[4-[5-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethyl]benzoic acid;2-(4-phenylphenyl)-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone

tris(carbon dioxide);2-(5-chloro-2-methylphenyl)-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone;5-ethyl-2-[2-oxo-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]benzoic acid;furan-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;methyl 5-methyl-2-[2-oxo-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]benzoate;bis(2-[4-(4-methylphenyl)phenyl]-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone);2-(2-methylphenyl)-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone;2-[2-oxo-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]benzoic acid;2-[2-oxo-2-[4-[5-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethyl]benzoic acid;2-(4-phenylphenyl)-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone (PubChem CID 159142818) has the molecular formula C225H218ClF30N15O25 and a molecular weight of 4137.69 g/mol. Its IUPAC name is tris(carbon dioxide);2-(5-chloro-2-methylphenyl)-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone;5-ethyl-2-[2-oxo-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]benzoic acid;furan-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;methyl 5-methyl-2-[2-oxo-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]benzoate;bis(2-[4-(4-methylphenyl)phenyl]-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone);2-(2-methylphenyl)-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone;2-[2-oxo-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]benzoic acid;2-[2-oxo-2-[4-[5-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethyl]benzoic acid;2-(4-phenylphenyl)-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Nametris(carbon dioxide);2-(5-chloro-2-methylphenyl)-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone;5-ethyl-2-[2-oxo-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]benzoic acid;furan-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;methyl 5-methyl-2-[2-oxo-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]benzoate;bis(2-[4-(4-methylphenyl)phenyl]-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone);2-(2-methylphenyl)-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone;2-[2-oxo-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]benzoic acid;2-[2-oxo-2-[4-[5-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethyl]benzoic acid;2-(4-phenylphenyl)-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone
PubChem CID159142818
Molecular FormulaC225H218ClF30N15O25
Molecular Weight4137.69 g/mol
Exact Mass4134.55
IUPAC Nametris(carbon dioxide);2-(5-chloro-2-methylphenyl)-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone;5-ethyl-2-[2-oxo-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]benzoic acid;furan-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;methyl 5-methyl-2-[2-oxo-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]benzoate;bis(2-[4-(4-methylphenyl)phenyl]-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone);2-(2-methylphenyl)-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone;2-[2-oxo-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]benzoic acid;2-[2-oxo-2-[4-[5-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethyl]benzoic acid;2-(4-phenylphenyl)-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone
SMILESCCc1ccc(CC(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)c(C(=O)O)c1.COC(=O)c1cc(C)ccc1CC(=O)N1CCC(c2ccccc2C(F)(F)F)CC1.Cc1ccc(-c2ccc(CC(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)cc2)cc1.Cc1ccc(-c2ccc(CC(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)cc2)cc1.Cc1ccc(Cl)cc1CC(=O)N1CCC(c2ccccc2C(F)(F)F)CC1.Cc1ccccc1CC(=O)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(Cc1ccc(-c2ccccc2)cc1)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(O)c1ccccc1CC(=O)N1CCN(c2ncccc2C(F)(F)F)CC1.O=C(O)c1ccccc1CC(=O)N1CCN(c2ncncc2C(F)(F)F)CC1.O=C(c1ccco1)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C=O.O=C=O.O=C=O
InChIInChI=1S/2C27H26F3NO.C26H24F3NO.2C23H24F3NO3.C21H21ClF3NO.C21H22F3NO.C19H18F3N3O3.C18H17F3N4O3.C17H16F3NO2.3CO2/c2*1-19-6-10-21(11-7-19)22-12-8-20(9-13-22)18-26(32)31-16-14-23(15-17-31)24-4-2-3-5-25(24)27(28,29)30;27-26(28,29)24-9-5-4-8-23(24)22-14-16-30(17-15-22)25(31)18-19-10-12-21(13-11-19)20-6-2-1-3-7-20;1-15-7-8-17(19(13-15)22(29)30-2)14-21(28)27-11-9-16(10-12-27)18-5-3-4-6-20(18)23(24,25)26;1-2-15-7-8-17(19(13-15)22(29)30)14-21(28)27-11-9-16(10-12-27)18-5-3-4-6-20(18)23(24,25)26;1-14-6-7-17(22)12-16(14)13-20(27)26-10-8-15(9-11-26)18-4-2-3-5-19(18)21(23,24)25;1-15-6-2-3-7-17(15)14-20(26)25-12-10-16(11-13-25)18-8-4-5-9-19(18)21(22,23)24;20-19(21,22)15-6-3-7-23-17(15)25-10-8-24(9-11-25)16(26)12-13-4-1-2-5-14(13)18(27)28;19-18(20,21)14-10-22-11-23-16(14)25-7-5-24(6-8-25)15(26)9-12-3-1-2-4-13(12)17(27)28;18-17(19,20)14-5-2-1-4-13(14)12-7-9-21(10-8-12)16(22)15-6-3-11-23-15;3*2-1-3/h2*2-13,23H,14-18H2,1H3;1-13,22H,14-18H2;3-8,13,16H,9-12,14H2,1-2H3;3-8,13,16H,2,9-12,14H2,1H3,(H,29,30);2-7,12,15H,8-11,13H2,1H3;2-9,16H,10-14H2,1H3;1-7H,8-12H2,(H,27,28);1-4,10-11H,5-9H2,(H,27,28);1-6,11-12H,7-10H2;;;
InChIKeyKIHOWLCFMWTURT-UHFFFAOYSA-N
XLogP47.16
TPSA502.01 Ų
H-Bond Donors3
H-Bond Acceptors27
Rotatable Bonds37
Heavy Atoms296
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004137.69
LogP ≤ 547.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1027

Analyze tris(carbon dioxide);2-(5-chloro-2-methylphenyl)-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone;5-ethyl-2-[2-oxo-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]benzoic acid;furan-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;methyl 5-methyl-2-[2-oxo-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]benzoate;bis(2-[4-(4-methylphenyl)phenyl]-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone);2-(2-methylphenyl)-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone;2-[2-oxo-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]benzoic acid;2-[2-oxo-2-[4-[5-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethyl]benzoic acid;2-(4-phenylphenyl)-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

5-[3-[4-(4-Tert-butylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(3,4-dimethylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(3,5-dimethylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(2-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(2-fluoro-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(furan-3-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid
CID 157724279
5-[3-[4-(4-Tert-butylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(3,4-dimethylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(3,5-dimethylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(2-fluoro-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(furan-3-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;2-methyl-5-[3-[4-(2-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-(3-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid
CID 159158003
Tris(carbon dioxide);furan-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;methyl 5-bromo-2-[2-oxo-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]benzoate;methyl 4-chloro-2-[2-oxo-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]benzoate;methyl 2-[2-oxo-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]benzoate;bis(2-[4-(4-methylphenyl)phenyl]-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone);2-[2-oxo-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]benzoic acid;2-[2-oxo-2-[4-[5-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethyl]benzoic acid;2-(4-phenylphenyl)-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone
CID 161596457
(5R)-5-[2-chloro-3,5-bis(trifluoromethyl)phenyl]-4-[[4-(2,6-difluorophenyl)-3-pyridinyl]methyl]-3-(furan-2-yl)-5H-1,2,4-oxadiazole;4-(4-chlorophenyl)-1-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]butan-1-one;4-[4-[(3R)-1-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperidin-3-yl]-4-oxobutyl]benzonitrile;4-[4-[(3R)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]-4-oxobutyl]benzonitrile;4-[4-[(3R)-1-(4-methylpyrimidin-2-yl)piperidin-3-yl]-4-oxobutyl]benzonitrile
CID 164037428
(1-Benzylimidazol-4-yl)-[4-(2-chlorophenyl)piperazin-1-yl]methanone;2-[5-chloro-2-(hydroxymethyl)phenyl]-1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]ethanone;2-[5-chloro-2-(hydroxymethyl)phenyl]-1-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]ethanone;2-[5-chloro-2-(hydroxymethyl)phenyl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone;2-[5-chloro-2-(hydroxymethyl)phenyl]-1-(4-methylpiperazin-1-yl)ethanone;2-[5-chloro-2-(hydroxymethyl)phenyl]-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone;2-[5-chloro-2-(hydroxymethyl)phenyl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[5-chloro-2-(hydroxymethyl)phenyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 161665283

Frequently Asked Questions

What is the IUPAC name of tris(carbon dioxide);2-(5-chloro-2-methylphenyl)-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone;5-ethyl-2-[2-oxo-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]benzoic acid;furan-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;methyl 5-methyl-2-[2-oxo-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]benzoate;bis(2-[4-(4-methylphenyl)phenyl]-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone);2-(2-methylphenyl)-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone;2-[2-oxo-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]benzoic acid;2-[2-oxo-2-[4-[5-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethyl]benzoic acid;2-(4-phenylphenyl)-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone?
The IUPAC name of tris(carbon dioxide);2-(5-chloro-2-methylphenyl)-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone;5-ethyl-2-[2-oxo-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]benzoic acid;furan-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;methyl 5-methyl-2-[2-oxo-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]benzoate;bis(2-[4-(4-methylphenyl)phenyl]-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone);2-(2-methylphenyl)-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone;2-[2-oxo-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]benzoic acid;2-[2-oxo-2-[4-[5-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethyl]benzoic acid;2-(4-phenylphenyl)-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone (CID 159142818) is tris(carbon dioxide);2-(5-chloro-2-methylphenyl)-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone;5-ethyl-2-[2-oxo-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]benzoic acid;furan-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;methyl 5-methyl-2-[2-oxo-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]benzoate;bis(2-[4-(4-methylphenyl)phenyl]-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone);2-(2-methylphenyl)-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone;2-[2-oxo-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]benzoic acid;2-[2-oxo-2-[4-[5-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethyl]benzoic acid;2-(4-phenylphenyl)-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone.
What is the SMILES notation for tris(carbon dioxide);2-(5-chloro-2-methylphenyl)-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone;5-ethyl-2-[2-oxo-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]benzoic acid;furan-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;methyl 5-methyl-2-[2-oxo-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]benzoate;bis(2-[4-(4-methylphenyl)phenyl]-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone);2-(2-methylphenyl)-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone;2-[2-oxo-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]benzoic acid;2-[2-oxo-2-[4-[5-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethyl]benzoic acid;2-(4-phenylphenyl)-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone?
The canonical SMILES for tris(carbon dioxide);2-(5-chloro-2-methylphenyl)-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone;5-ethyl-2-[2-oxo-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]benzoic acid;furan-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;methyl 5-methyl-2-[2-oxo-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]benzoate;bis(2-[4-(4-methylphenyl)phenyl]-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone);2-(2-methylphenyl)-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone;2-[2-oxo-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]benzoic acid;2-[2-oxo-2-[4-[5-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethyl]benzoic acid;2-(4-phenylphenyl)-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone is CCc1ccc(CC(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)c(C(=O)O)c1.COC(=O)c1cc(C)ccc1CC(=O)N1CCC(c2ccccc2C(F)(F)F)CC1.Cc1ccc(-c2ccc(CC(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)cc2)cc1.Cc1ccc(-c2ccc(CC(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)cc2)cc1.Cc1ccc(Cl)cc1CC(=O)N1CCC(c2ccccc2C(F)(F)F)CC1.Cc1ccccc1CC(=O)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(Cc1ccc(-c2ccccc2)cc1)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(O)c1ccccc1CC(=O)N1CCN(c2ncccc2C(F)(F)F)CC1.O=C(O)c1ccccc1CC(=O)N1CCN(c2ncncc2C(F)(F)F)CC1.O=C(c1ccco1)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C=O.O=C=O.O=C=O.
What is the InChIKey of tris(carbon dioxide);2-(5-chloro-2-methylphenyl)-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone;5-ethyl-2-[2-oxo-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]benzoic acid;furan-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;methyl 5-methyl-2-[2-oxo-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]benzoate;bis(2-[4-(4-methylphenyl)phenyl]-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone);2-(2-methylphenyl)-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone;2-[2-oxo-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]benzoic acid;2-[2-oxo-2-[4-[5-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethyl]benzoic acid;2-(4-phenylphenyl)-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone?
The InChIKey is KIHOWLCFMWTURT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H26F3NO.C26H24F3NO.2C23H24F3NO3.C21H21ClF3NO.C21H22F3NO.C19H18F3N3O3.C18H17F3N4O3.C17H16F3NO2.3CO2/c2*1-19-6-10-21(11-7-19)22-12-8-20(9-13-22)18-26(32)31-16-14-23(15-17-31)24-4-2-3-5-25(24)27(28,29)30;27-26(28,29)24-9-5-4-8-23(24)22-14-16-30(17-15-22)25(31)18-19-10-12-21(13-11-19)20-6-2-1-3-7-20;1-15-7-8-17(19(13-15)22(29)30-2)14-21(28)27-11-9-16(10-12-27)18-5-3-4-6-20(18)23(24,25)26;1-2-15-7-8-17(19(13-15)22(29)30)14-21(28)27-11-9-16(10-12-27)18-5-3-4-6-20(18)23(24,25)26;1-14-6-7-17(22)12-16(14)13-20(27)26-10-8-15(9-11-26)18-4-2-3-5-19(18)21(23,24)25;1-15-6-2-3-7-17(15)14-20(26)25-12-10-16(11-13-25)18-8-4-5-9-19(18)21(22,23)24;20-19(21,22)15-6-3-7-23-17(15)25-10-8-24(9-11-25)16(26)12-13-4-1-2-5-14(13)18(27)28;19-18(20,21)14-10-22-11-23-16(14)25-7-5-24(6-8-25)15(26)9-12-3-1-2-4-13(12)17(27)28;18-17(19,20)14-5-2-1-4-13(14)12-7-9-21(10-8-12)16(22)15-6-3-11-23-15;3*2-1-3/h2*2-13,23H,14-18H2,1H3;1-13,22H,14-18H2;3-8,13,16H,9-12,14H2,1-2H3;3-8,13,16H,2,9-12,14H2,1H3,(H,29,30);2-7,12,15H,8-11,13H2,1H3;2-9,16H,10-14H2,1H3;1-7H,8-12H2,(H,27,28);1-4,10-11H,5-9H2,(H,27,28);1-6,11-12H,7-10H2;;;.
What are the key properties of tris(carbon dioxide);2-(5-chloro-2-methylphenyl)-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone;5-ethyl-2-[2-oxo-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]benzoic acid;furan-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;methyl 5-methyl-2-[2-oxo-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]benzoate;bis(2-[4-(4-methylphenyl)phenyl]-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone);2-(2-methylphenyl)-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone;2-[2-oxo-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]benzoic acid;2-[2-oxo-2-[4-[5-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethyl]benzoic acid;2-(4-phenylphenyl)-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone?
tris(carbon dioxide);2-(5-chloro-2-methylphenyl)-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone;5-ethyl-2-[2-oxo-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]benzoic acid;furan-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;methyl 5-methyl-2-[2-oxo-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]benzoate;bis(2-[4-(4-methylphenyl)phenyl]-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone);2-(2-methylphenyl)-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone;2-[2-oxo-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]benzoic acid;2-[2-oxo-2-[4-[5-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethyl]benzoic acid;2-(4-phenylphenyl)-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone has a molecular weight of 4137.69 g/mol, XLogP of 47.16, 37 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for tris(carbon dioxide);2-(5-chloro-2-methylphenyl)-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone;5-ethyl-2-[2-oxo-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]benzoic acid;furan-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;methyl 5-methyl-2-[2-oxo-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]benzoate;bis(2-[4-(4-methylphenyl)phenyl]-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone);2-(2-methylphenyl)-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone;2-[2-oxo-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]benzoic acid;2-[2-oxo-2-[4-[5-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethyl]benzoic acid;2-(4-phenylphenyl)-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 159142818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).