2-[3-(4-acetylphenoxy)-5-(trifluoromethyl)phenyl]-1-[4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]ethanone;1-[4-[3-[2-[3-hydroxy-3-(2-methylpropyl)azetidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)phenoxy]phenyl]propan-1-one;4-[3-[2-[4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)phenoxy]-N,N-dimethylbenzamide;1-[6-[3-[2-[4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)phenoxy]-3-pyridinyl]propan-1-one;1-[4-[3-[2-[3-hydroxy-3-(2-methylpropyl)pyrrolidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)phenoxy]phenyl]propan-1-one;1-[4-[3-[2-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)phenoxy]phenyl]propan-1-one

C156H182F18N10O23 — CID 161195824

IUPAC2-[3-(4-acetylphenoxy)-5-(trifluoromethyl)phenyl]-1-[4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]ethanone;1-[4-[3-[2-[3-hydroxy-3-(2-methylpropyl)azetidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)phenoxy]phenyl]propan-1-one;4-[3-[2-[4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)phenoxy]-N,N-dimethylbenzamide;1-[6-[3-[2-[4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)phenoxy]-3-pyridinyl]propan-1-one;1-[4-[3-[2-[3-hydroxy-3-(2-methylpropyl)pyrrolidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)phenoxy]phenyl]propan-1-one;1-[4-[3-[2-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)phenoxy]phenyl]propan-1-one
SMILESCC(=O)c1ccc(Oc2cc(CC(=O)N3CCC(O)(CC(C)C)CC3)cc(C(F)(F)F)c2)cc1.CC(C)CC1(O)CCN(C(=O)Cc2cc(Oc3ccc(C(=O)N(C)C)cc3)cc(C(F)(F)F)c2)CC1.CCC(=O)c1ccc(Oc2cc(CC(=O)N3CC(N4CCN(C)CC4)C3)cc(C(F)(F)F)c2)cc1.CCC(=O)c1ccc(Oc2cc(CC(=O)N3CC(O)(CC(C)C)C3)cc(C(F)(F)F)c2)cc1.CCC(=O)c1ccc(Oc2cc(CC(=O)N3CCC(O)(CC(C)C)C3)cc(C(F)(F)F)c2)cc1.CCC(=O)c1ccc(Oc2cc(CC(=O)N3CCC(O)(CC(C)C)CC3)cc(C(F)(F)F)c2)nc1
InChIInChI=1S/C27H33F3N2O4.C26H30F3N3O3.C26H31F3N2O4.2C26H30F3NO4.C25H28F3NO4/c1-18(2)17-26(35)9-11-32(12-10-26)24(33)15-19-13-21(27(28,29)30)16-23(14-19)36-22-7-5-20(6-8-22)25(34)31(3)4;1-3-24(33)19-4-6-22(7-5-19)35-23-13-18(12-20(15-23)26(27,28)29)14-25(34)32-16-21(17-32)31-10-8-30(2)9-11-31;1-4-22(32)19-5-6-23(30-16-19)35-21-12-18(11-20(14-21)26(27,28)29)13-24(33)31-9-7-25(34,8-10-31)15-17(2)3;1-17(2)16-25(33)8-10-30(11-9-25)24(32)14-19-12-21(26(27,28)29)15-23(13-19)34-22-6-4-20(5-7-22)18(3)31;1-4-23(31)19-5-7-21(8-6-19)34-22-12-18(11-20(14-22)26(27,28)29)13-24(32)30-10-9-25(33,16-30)15-17(2)3;1-4-22(30)18-5-7-20(8-6-18)33-21-10-17(9-19(12-21)25(26,27)28)11-23(31)29-14-24(32,15-29)13-16(2)3/h5-8,13-14,16,18,35H,9-12,15,17H2,1-4H3;4-7,12-13,15,21H,3,8-11,14,16-17H2,1-2H3;5-6,11-12,14,16-17,34H,4,7-10,13,15H2,1-3H3;4-7,12-13,15,17,33H,8-11,14,16H2,1-3H3;5-8,11-12,14,17,33H,4,9-10,13,15-16H2,1-3H3;5-10,12,16,32H,4,11,13-15H2,1-3H3
InChIKeyUUIFJOIDEWOXEY-UHFFFAOYSA-N
MW2907.18 g/mol
LogP31.20
Rot. Bonds45

About 2-[3-(4-acetylphenoxy)-5-(trifluoromethyl)phenyl]-1-[4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]ethanone;1-[4-[3-[2-[3-hydroxy-3-(2-methylpropyl)azetidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)phenoxy]phenyl]propan-1-one;4-[3-[2-[4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)phenoxy]-N,N-dimethylbenzamide;1-[6-[3-[2-[4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)phenoxy]-3-pyridinyl]propan-1-one;1-[4-[3-[2-[3-hydroxy-3-(2-methylpropyl)pyrrolidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)phenoxy]phenyl]propan-1-one;1-[4-[3-[2-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)phenoxy]phenyl]propan-1-one

2-[3-(4-acetylphenoxy)-5-(trifluoromethyl)phenyl]-1-[4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]ethanone;1-[4-[3-[2-[3-hydroxy-3-(2-methylpropyl)azetidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)phenoxy]phenyl]propan-1-one;4-[3-[2-[4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)phenoxy]-N,N-dimethylbenzamide;1-[6-[3-[2-[4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)phenoxy]-3-pyridinyl]propan-1-one;1-[4-[3-[2-[3-hydroxy-3-(2-methylpropyl)pyrrolidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)phenoxy]phenyl]propan-1-one;1-[4-[3-[2-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)phenoxy]phenyl]propan-1-one (PubChem CID 161195824) has the molecular formula C156H182F18N10O23 and a molecular weight of 2907.18 g/mol. Its IUPAC name is 2-[3-(4-acetylphenoxy)-5-(trifluoromethyl)phenyl]-1-[4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]ethanone;1-[4-[3-[2-[3-hydroxy-3-(2-methylpropyl)azetidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)phenoxy]phenyl]propan-1-one;4-[3-[2-[4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)phenoxy]-N,N-dimethylbenzamide;1-[6-[3-[2-[4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)phenoxy]-3-pyridinyl]propan-1-one;1-[4-[3-[2-[3-hydroxy-3-(2-methylpropyl)pyrrolidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)phenoxy]phenyl]propan-1-one;1-[4-[3-[2-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)phenoxy]phenyl]propan-1-one.

Molecular Properties

Compound Name2-[3-(4-acetylphenoxy)-5-(trifluoromethyl)phenyl]-1-[4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]ethanone;1-[4-[3-[2-[3-hydroxy-3-(2-methylpropyl)azetidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)phenoxy]phenyl]propan-1-one;4-[3-[2-[4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)phenoxy]-N,N-dimethylbenzamide;1-[6-[3-[2-[4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)phenoxy]-3-pyridinyl]propan-1-one;1-[4-[3-[2-[3-hydroxy-3-(2-methylpropyl)pyrrolidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)phenoxy]phenyl]propan-1-one;1-[4-[3-[2-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)phenoxy]phenyl]propan-1-one
PubChem CID161195824
Molecular FormulaC156H182F18N10O23
Molecular Weight2907.18 g/mol
Exact Mass2905.31
IUPAC Name2-[3-(4-acetylphenoxy)-5-(trifluoromethyl)phenyl]-1-[4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]ethanone;1-[4-[3-[2-[3-hydroxy-3-(2-methylpropyl)azetidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)phenoxy]phenyl]propan-1-one;4-[3-[2-[4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)phenoxy]-N,N-dimethylbenzamide;1-[6-[3-[2-[4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)phenoxy]-3-pyridinyl]propan-1-one;1-[4-[3-[2-[3-hydroxy-3-(2-methylpropyl)pyrrolidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)phenoxy]phenyl]propan-1-one;1-[4-[3-[2-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)phenoxy]phenyl]propan-1-one
SMILESCC(=O)c1ccc(Oc2cc(CC(=O)N3CCC(O)(CC(C)C)CC3)cc(C(F)(F)F)c2)cc1.CC(C)CC1(O)CCN(C(=O)Cc2cc(Oc3ccc(C(=O)N(C)C)cc3)cc(C(F)(F)F)c2)CC1.CCC(=O)c1ccc(Oc2cc(CC(=O)N3CC(N4CCN(C)CC4)C3)cc(C(F)(F)F)c2)cc1.CCC(=O)c1ccc(Oc2cc(CC(=O)N3CC(O)(CC(C)C)C3)cc(C(F)(F)F)c2)cc1.CCC(=O)c1ccc(Oc2cc(CC(=O)N3CCC(O)(CC(C)C)C3)cc(C(F)(F)F)c2)cc1.CCC(=O)c1ccc(Oc2cc(CC(=O)N3CCC(O)(CC(C)C)CC3)cc(C(F)(F)F)c2)nc1
InChIInChI=1S/C27H33F3N2O4.C26H30F3N3O3.C26H31F3N2O4.2C26H30F3NO4.C25H28F3NO4/c1-18(2)17-26(35)9-11-32(12-10-26)24(33)15-19-13-21(27(28,29)30)16-23(14-19)36-22-7-5-20(6-8-22)25(34)31(3)4;1-3-24(33)19-4-6-22(7-5-19)35-23-13-18(12-20(15-23)26(27,28)29)14-25(34)32-16-21(17-32)31-10-8-30(2)9-11-31;1-4-22(32)19-5-6-23(30-16-19)35-21-12-18(11-20(14-21)26(27,28)29)13-24(33)31-9-7-25(34,8-10-31)15-17(2)3;1-17(2)16-25(33)8-10-30(11-9-25)24(32)14-19-12-21(26(27,28)29)15-23(13-19)34-22-6-4-20(5-7-22)18(3)31;1-4-23(31)19-5-7-21(8-6-19)34-22-12-18(11-20(14-22)26(27,28)29)13-24(32)30-10-9-25(33,16-30)15-17(2)3;1-4-22(30)18-5-7-20(8-6-18)33-21-10-17(9-19(12-21)25(26,27)28)11-23(31)29-14-24(32,15-29)13-16(2)3/h5-8,13-14,16,18,35H,9-12,15,17H2,1-4H3;4-7,12-13,15,21H,3,8-11,14,16-17H2,1-2H3;5-6,11-12,14,16-17,34H,4,7-10,13,15H2,1-3H3;4-7,12-13,15,17,33H,8-11,14,16H2,1-3H3;5-8,11-12,14,17,33H,4,9-10,13,15-16H2,1-3H3;5-10,12,16,32H,4,11,13-15H2,1-3H3
InChIKeyUUIFJOIDEWOXEY-UHFFFAOYSA-N
XLogP31.20
TPSA403.42 Ų
H-Bond Donors5
H-Bond Acceptors26
Rotatable Bonds45
Heavy Atoms207
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002907.18
LogP ≤ 531.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1026

Analyze 2-[3-(4-acetylphenoxy)-5-(trifluoromethyl)phenyl]-1-[4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]ethanone;1-[4-[3-[2-[3-hydroxy-3-(2-methylpropyl)azetidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)phenoxy]phenyl]propan-1-one;4-[3-[2-[4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)phenoxy]-N,N-dimethylbenzamide;1-[6-[3-[2-[4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)phenoxy]-3-pyridinyl]propan-1-one;1-[4-[3-[2-[3-hydroxy-3-(2-methylpropyl)pyrrolidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)phenoxy]phenyl]propan-1-one;1-[4-[3-[2-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)phenoxy]phenyl]propan-1-one with MolForge

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Related Compounds

1-[4-[3-[2-(4-hydroxy-4-propan-2-ylpiperidin-1-yl)-2-oxoethyl]-5-(trifluoromethyl)phenoxy]phenyl]propan-1-one
CID 159740671
1-[4-[3-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-5-(trifluoromethyl)phenoxy]phenyl]propan-1-one
CID 158396163
1-[4-[3-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-5-(trifluoromethyl)phenoxy]phenyl]propan-1-one;1-[4-(2-ethylbutyl)-4-hydroxypiperidin-1-yl]-2-[3-(4-methylphenoxy)-5-(trifluoromethyl)phenyl]ethanone;1-[4-[3-[2-[4-(2-ethylbutyl)-4-hydroxypiperidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)phenoxy]phenyl]propan-1-one;1-[4-[3-[2-[4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)phenoxy]phenyl]propan-1-one;1-[4-[3-(2-morpholin-4-yl-2-oxoethyl)-5-(trifluoromethyl)phenoxy]phenyl]propan-1-one;1-[2-[3-(4-propanoylphenoxy)-5-(trifluoromethyl)phenyl]acetyl]piperidin-4-one
CID 159382070
1-[4-[3-[2-[4-(2-ethylbutyl)-4-hydroxypiperidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)benzoyl]phenyl]propan-1-one
CID 158410993
1-[4-(2-ethylbutyl)-4-hydroxypiperidin-1-yl]-2-[3-(4-methylsulfonylphenoxy)-5-(trifluoromethyl)phenyl]ethanone
CID 159412994
1-[4-(2-ethylbutyl)-4-hydroxypiperidin-1-yl]-2-[3-methoxy-5-(trifluoromethyl)phenyl]ethanone
CID 160763782
1-[4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]-2-[3-(4-methylsulfonylbenzoyl)-5-(trifluoromethyl)phenyl]ethanone
CID 158410990
1-[4-(2-ethylbutyl)-4-hydroxypiperidin-1-yl]-2-[3-[2-[4-(2-ethylbutyl)-4-hydroxypiperidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)phenyl]ethanone
CID 159805897
N-[3-[4-[2-(dimethylamino)ethylcarbamoyl]phenoxy]-5-(trifluoromethyl)phenyl]-4-hydroxy-4-(2-methylpropyl)piperidine-1-carboxamide
CID 155783006
N-[3-(4-fluorophenoxy)-5-(trifluoromethyl)phenyl]-4-hydroxy-4-(2-methylpropyl)piperidine-1-carboxamide
CID 155322993
(4-acetylphenyl) 4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoate
CID 27873697
N-(2-methylpropyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 24537188

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-acetylphenoxy)-5-(trifluoromethyl)phenyl]-1-[4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]ethanone;1-[4-[3-[2-[3-hydroxy-3-(2-methylpropyl)azetidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)phenoxy]phenyl]propan-1-one;4-[3-[2-[4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)phenoxy]-N,N-dimethylbenzamide;1-[6-[3-[2-[4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)phenoxy]-3-pyridinyl]propan-1-one;1-[4-[3-[2-[3-hydroxy-3-(2-methylpropyl)pyrrolidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)phenoxy]phenyl]propan-1-one;1-[4-[3-[2-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)phenoxy]phenyl]propan-1-one?
The IUPAC name of 2-[3-(4-acetylphenoxy)-5-(trifluoromethyl)phenyl]-1-[4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]ethanone;1-[4-[3-[2-[3-hydroxy-3-(2-methylpropyl)azetidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)phenoxy]phenyl]propan-1-one;4-[3-[2-[4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)phenoxy]-N,N-dimethylbenzamide;1-[6-[3-[2-[4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)phenoxy]-3-pyridinyl]propan-1-one;1-[4-[3-[2-[3-hydroxy-3-(2-methylpropyl)pyrrolidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)phenoxy]phenyl]propan-1-one;1-[4-[3-[2-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)phenoxy]phenyl]propan-1-one (CID 161195824) is 2-[3-(4-acetylphenoxy)-5-(trifluoromethyl)phenyl]-1-[4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]ethanone;1-[4-[3-[2-[3-hydroxy-3-(2-methylpropyl)azetidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)phenoxy]phenyl]propan-1-one;4-[3-[2-[4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)phenoxy]-N,N-dimethylbenzamide;1-[6-[3-[2-[4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)phenoxy]-3-pyridinyl]propan-1-one;1-[4-[3-[2-[3-hydroxy-3-(2-methylpropyl)pyrrolidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)phenoxy]phenyl]propan-1-one;1-[4-[3-[2-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)phenoxy]phenyl]propan-1-one.
What is the SMILES notation for 2-[3-(4-acetylphenoxy)-5-(trifluoromethyl)phenyl]-1-[4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]ethanone;1-[4-[3-[2-[3-hydroxy-3-(2-methylpropyl)azetidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)phenoxy]phenyl]propan-1-one;4-[3-[2-[4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)phenoxy]-N,N-dimethylbenzamide;1-[6-[3-[2-[4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)phenoxy]-3-pyridinyl]propan-1-one;1-[4-[3-[2-[3-hydroxy-3-(2-methylpropyl)pyrrolidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)phenoxy]phenyl]propan-1-one;1-[4-[3-[2-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)phenoxy]phenyl]propan-1-one?
The canonical SMILES for 2-[3-(4-acetylphenoxy)-5-(trifluoromethyl)phenyl]-1-[4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]ethanone;1-[4-[3-[2-[3-hydroxy-3-(2-methylpropyl)azetidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)phenoxy]phenyl]propan-1-one;4-[3-[2-[4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)phenoxy]-N,N-dimethylbenzamide;1-[6-[3-[2-[4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)phenoxy]-3-pyridinyl]propan-1-one;1-[4-[3-[2-[3-hydroxy-3-(2-methylpropyl)pyrrolidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)phenoxy]phenyl]propan-1-one;1-[4-[3-[2-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)phenoxy]phenyl]propan-1-one is CC(=O)c1ccc(Oc2cc(CC(=O)N3CCC(O)(CC(C)C)CC3)cc(C(F)(F)F)c2)cc1.CC(C)CC1(O)CCN(C(=O)Cc2cc(Oc3ccc(C(=O)N(C)C)cc3)cc(C(F)(F)F)c2)CC1.CCC(=O)c1ccc(Oc2cc(CC(=O)N3CC(N4CCN(C)CC4)C3)cc(C(F)(F)F)c2)cc1.CCC(=O)c1ccc(Oc2cc(CC(=O)N3CC(O)(CC(C)C)C3)cc(C(F)(F)F)c2)cc1.CCC(=O)c1ccc(Oc2cc(CC(=O)N3CCC(O)(CC(C)C)C3)cc(C(F)(F)F)c2)cc1.CCC(=O)c1ccc(Oc2cc(CC(=O)N3CCC(O)(CC(C)C)CC3)cc(C(F)(F)F)c2)nc1.
What is the InChIKey of 2-[3-(4-acetylphenoxy)-5-(trifluoromethyl)phenyl]-1-[4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]ethanone;1-[4-[3-[2-[3-hydroxy-3-(2-methylpropyl)azetidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)phenoxy]phenyl]propan-1-one;4-[3-[2-[4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)phenoxy]-N,N-dimethylbenzamide;1-[6-[3-[2-[4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)phenoxy]-3-pyridinyl]propan-1-one;1-[4-[3-[2-[3-hydroxy-3-(2-methylpropyl)pyrrolidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)phenoxy]phenyl]propan-1-one;1-[4-[3-[2-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)phenoxy]phenyl]propan-1-one?
The InChIKey is UUIFJOIDEWOXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33F3N2O4.C26H30F3N3O3.C26H31F3N2O4.2C26H30F3NO4.C25H28F3NO4/c1-18(2)17-26(35)9-11-32(12-10-26)24(33)15-19-13-21(27(28,29)30)16-23(14-19)36-22-7-5-20(6-8-22)25(34)31(3)4;1-3-24(33)19-4-6-22(7-5-19)35-23-13-18(12-20(15-23)26(27,28)29)14-25(34)32-16-21(17-32)31-10-8-30(2)9-11-31;1-4-22(32)19-5-6-23(30-16-19)35-21-12-18(11-20(14-21)26(27,28)29)13-24(33)31-9-7-25(34,8-10-31)15-17(2)3;1-17(2)16-25(33)8-10-30(11-9-25)24(32)14-19-12-21(26(27,28)29)15-23(13-19)34-22-6-4-20(5-7-22)18(3)31;1-4-23(31)19-5-7-21(8-6-19)34-22-12-18(11-20(14-22)26(27,28)29)13-24(32)30-10-9-25(33,16-30)15-17(2)3;1-4-22(30)18-5-7-20(8-6-18)33-21-10-17(9-19(12-21)25(26,27)28)11-23(31)29-14-24(32,15-29)13-16(2)3/h5-8,13-14,16,18,35H,9-12,15,17H2,1-4H3;4-7,12-13,15,21H,3,8-11,14,16-17H2,1-2H3;5-6,11-12,14,16-17,34H,4,7-10,13,15H2,1-3H3;4-7,12-13,15,17,33H,8-11,14,16H2,1-3H3;5-8,11-12,14,17,33H,4,9-10,13,15-16H2,1-3H3;5-10,12,16,32H,4,11,13-15H2,1-3H3.
What are the key properties of 2-[3-(4-acetylphenoxy)-5-(trifluoromethyl)phenyl]-1-[4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]ethanone;1-[4-[3-[2-[3-hydroxy-3-(2-methylpropyl)azetidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)phenoxy]phenyl]propan-1-one;4-[3-[2-[4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)phenoxy]-N,N-dimethylbenzamide;1-[6-[3-[2-[4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)phenoxy]-3-pyridinyl]propan-1-one;1-[4-[3-[2-[3-hydroxy-3-(2-methylpropyl)pyrrolidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)phenoxy]phenyl]propan-1-one;1-[4-[3-[2-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)phenoxy]phenyl]propan-1-one?
2-[3-(4-acetylphenoxy)-5-(trifluoromethyl)phenyl]-1-[4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]ethanone;1-[4-[3-[2-[3-hydroxy-3-(2-methylpropyl)azetidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)phenoxy]phenyl]propan-1-one;4-[3-[2-[4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)phenoxy]-N,N-dimethylbenzamide;1-[6-[3-[2-[4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)phenoxy]-3-pyridinyl]propan-1-one;1-[4-[3-[2-[3-hydroxy-3-(2-methylpropyl)pyrrolidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)phenoxy]phenyl]propan-1-one;1-[4-[3-[2-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)phenoxy]phenyl]propan-1-one has a molecular weight of 2907.18 g/mol, XLogP of 31.20, 45 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-acetylphenoxy)-5-(trifluoromethyl)phenyl]-1-[4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]ethanone;1-[4-[3-[2-[3-hydroxy-3-(2-methylpropyl)azetidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)phenoxy]phenyl]propan-1-one;4-[3-[2-[4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)phenoxy]-N,N-dimethylbenzamide;1-[6-[3-[2-[4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)phenoxy]-3-pyridinyl]propan-1-one;1-[4-[3-[2-[3-hydroxy-3-(2-methylpropyl)pyrrolidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)phenoxy]phenyl]propan-1-one;1-[4-[3-[2-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)phenoxy]phenyl]propan-1-one is sourced from PubChem (CID 161195824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).