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

C153H172F18N6O24 — CID 159382070

IUPAC1-[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
SMILESCCC(=O)c1ccc(Oc2cc(CC(=O)N3CCC(=O)CC3)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)cc1.CCC(=O)c1ccc(Oc2cc(CC(=O)N3CCC(O)(CC(CC)CC)CC3)cc(C(F)(F)F)c2)cc1.CCC(=O)c1ccc(Oc2cc(CC(=O)N3CCC4(CC3)OCCO4)cc(C(F)(F)F)c2)cc1.CCC(=O)c1ccc(Oc2cc(CC(=O)N3CCOCC3)cc(C(F)(F)F)c2)cc1.CCC(CC)CC1(O)CCN(C(=O)Cc2cc(Oc3ccc(C)cc3)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C29H36F3NO4.C27H32F3NO4.C27H34F3NO3.C25H26F3NO5.C23H22F3NO4.C22H22F3NO4/c1-4-20(5-2)19-28(36)11-13-33(14-12-28)27(35)17-21-15-23(29(30,31)32)18-25(16-21)37-24-9-7-22(8-10-24)26(34)6-3;1-4-24(32)20-5-7-22(8-6-20)35-23-14-19(13-21(16-23)27(28,29)30)15-25(33)31-11-9-26(34,10-12-31)17-18(2)3;1-4-20(5-2)18-26(33)10-12-31(13-11-26)25(32)16-21-14-22(27(28,29)30)17-24(15-21)34-23-8-6-19(3)7-9-23;1-2-22(30)18-3-5-20(6-4-18)34-21-14-17(13-19(16-21)25(26,27)28)15-23(31)29-9-7-24(8-10-29)32-11-12-33-24;1-2-21(29)16-3-5-19(6-4-16)31-20-12-15(11-17(14-20)23(24,25)26)13-22(30)27-9-7-18(28)8-10-27;1-2-20(27)16-3-5-18(6-4-16)30-19-12-15(11-17(14-19)22(23,24)25)13-21(28)26-7-9-29-10-8-26/h7-10,15-16,18,20,36H,4-6,11-14,17,19H2,1-3H3;5-8,13-14,16,18,34H,4,9-12,15,17H2,1-3H3;6-9,14-15,17,20,33H,4-5,10-13,16,18H2,1-3H3;3-6,13-14,16H,2,7-12,15H2,1H3;3-6,11-12,14H,2,7-10,13H2,1H3;3-6,11-12,14H,2,7-10,13H2,1H3
InChIKeyLLAQPXRYKXITKK-UHFFFAOYSA-N
MW2821.04 g/mol
LogP33.69
Rot. Bonds44

About 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

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 (PubChem CID 159382070) has the molecular formula C153H172F18N6O24 and a molecular weight of 2821.04 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID159382070
Molecular FormulaC153H172F18N6O24
Molecular Weight2821.04 g/mol
Exact Mass2819.21
IUPAC Name1-[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
SMILESCCC(=O)c1ccc(Oc2cc(CC(=O)N3CCC(=O)CC3)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)cc1.CCC(=O)c1ccc(Oc2cc(CC(=O)N3CCC(O)(CC(CC)CC)CC3)cc(C(F)(F)F)c2)cc1.CCC(=O)c1ccc(Oc2cc(CC(=O)N3CCC4(CC3)OCCO4)cc(C(F)(F)F)c2)cc1.CCC(=O)c1ccc(Oc2cc(CC(=O)N3CCOCC3)cc(C(F)(F)F)c2)cc1.CCC(CC)CC1(O)CCN(C(=O)Cc2cc(Oc3ccc(C)cc3)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C29H36F3NO4.C27H32F3NO4.C27H34F3NO3.C25H26F3NO5.C23H22F3NO4.C22H22F3NO4/c1-4-20(5-2)19-28(36)11-13-33(14-12-28)27(35)17-21-15-23(29(30,31)32)18-25(16-21)37-24-9-7-22(8-10-24)26(34)6-3;1-4-24(32)20-5-7-22(8-6-20)35-23-14-19(13-21(16-23)27(28,29)30)15-25(33)31-11-9-26(34,10-12-31)17-18(2)3;1-4-20(5-2)18-26(33)10-12-31(13-11-26)25(32)16-21-14-22(27(28,29)30)17-24(15-21)34-23-8-6-19(3)7-9-23;1-2-22(30)18-3-5-20(6-4-18)34-21-14-17(13-19(16-21)25(26,27)28)15-23(31)29-9-7-24(8-10-29)32-11-12-33-24;1-2-21(29)16-3-5-19(6-4-16)31-20-12-15(11-17(14-20)23(24,25)26)13-22(30)27-9-7-18(28)8-10-27;1-2-20(27)16-3-5-18(6-4-16)30-19-12-15(11-17(14-19)22(23,24)25)13-21(28)26-7-9-29-10-8-26/h7-10,15-16,18,20,36H,4-6,11-14,17,19H2,1-3H3;5-8,13-14,16,18,34H,4,9-12,15,17H2,1-3H3;6-9,14-15,17,20,33H,4-5,10-13,16,18H2,1-3H3;3-6,13-14,16H,2,7-12,15H2,1H3;3-6,11-12,14H,2,7-10,13H2,1H3;3-6,11-12,14H,2,7-10,13H2,1H3
InChIKeyLLAQPXRYKXITKK-UHFFFAOYSA-N
XLogP33.69
TPSA368.04 Ų
H-Bond Donors3
H-Bond Acceptors24
Rotatable Bonds44
Heavy Atoms201
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002821.04
LogP ≤ 533.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1024

Analyze 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 with MolForge

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Related Compounds

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-(4-hydroxy-4-propan-2-ylpiperidin-1-yl)-2-oxoethyl]-5-(trifluoromethyl)phenoxy]phenyl]propan-1-one
CID 159740671
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-(2-ethylbutyl)-4-hydroxypiperidin-1-yl]-2-[3-[2-[4-(2-ethylbutyl)-4-hydroxypiperidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)phenyl]ethanone
CID 159805897
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
1-[4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]-2-[3-(4-methylsulfonylbenzoyl)-5-(trifluoromethyl)phenyl]ethanone
CID 158410990
N-[3-(4-fluorophenoxy)-5-(trifluoromethyl)phenyl]-4-hydroxy-4-(2-methylpropyl)piperidine-1-carboxamide
CID 155322993
tert-butyl N-[3-[2-[4-(2-ethylbutyl)-4-hydroxypiperidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)phenyl]-N-(4-methylsulfonylphenyl)carbamate
CID 159973566
4-(2-ethylbutyl)-N-[3-[3-fluoro-5-(trifluoromethyl)phenoxy]phenyl]-4-hydroxypiperidine-1-carboxamide
CID 91826297
N-[3-[4-[2-(dimethylamino)ethylcarbamoyl]phenoxy]-5-(trifluoromethyl)phenyl]-4-hydroxy-4-(2-methylpropyl)piperidine-1-carboxamide
CID 155783006

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCC(=O)c1ccc(Oc2cc(CC(=O)N3CCC(=O)CC3)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)cc1.CCC(=O)c1ccc(Oc2cc(CC(=O)N3CCC(O)(CC(CC)CC)CC3)cc(C(F)(F)F)c2)cc1.CCC(=O)c1ccc(Oc2cc(CC(=O)N3CCC4(CC3)OCCO4)cc(C(F)(F)F)c2)cc1.CCC(=O)c1ccc(Oc2cc(CC(=O)N3CCOCC3)cc(C(F)(F)F)c2)cc1.CCC(CC)CC1(O)CCN(C(=O)Cc2cc(Oc3ccc(C)cc3)cc(C(F)(F)F)c2)CC1.
What is the InChIKey of 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?
The InChIKey is LLAQPXRYKXITKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36F3NO4.C27H32F3NO4.C27H34F3NO3.C25H26F3NO5.C23H22F3NO4.C22H22F3NO4/c1-4-20(5-2)19-28(36)11-13-33(14-12-28)27(35)17-21-15-23(29(30,31)32)18-25(16-21)37-24-9-7-22(8-10-24)26(34)6-3;1-4-24(32)20-5-7-22(8-6-20)35-23-14-19(13-21(16-23)27(28,29)30)15-25(33)31-11-9-26(34,10-12-31)17-18(2)3;1-4-20(5-2)18-26(33)10-12-31(13-11-26)25(32)16-21-14-22(27(28,29)30)17-24(15-21)34-23-8-6-19(3)7-9-23;1-2-22(30)18-3-5-20(6-4-18)34-21-14-17(13-19(16-21)25(26,27)28)15-23(31)29-9-7-24(8-10-29)32-11-12-33-24;1-2-21(29)16-3-5-19(6-4-16)31-20-12-15(11-17(14-20)23(24,25)26)13-22(30)27-9-7-18(28)8-10-27;1-2-20(27)16-3-5-18(6-4-16)30-19-12-15(11-17(14-19)22(23,24)25)13-21(28)26-7-9-29-10-8-26/h7-10,15-16,18,20,36H,4-6,11-14,17,19H2,1-3H3;5-8,13-14,16,18,34H,4,9-12,15,17H2,1-3H3;6-9,14-15,17,20,33H,4-5,10-13,16,18H2,1-3H3;3-6,13-14,16H,2,7-12,15H2,1H3;3-6,11-12,14H,2,7-10,13H2,1H3;3-6,11-12,14H,2,7-10,13H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 2821.04 g/mol, XLogP of 33.69, 44 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159382070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).