[(2R,3S)-3-[3-[2-fluoro-6-(2-hydroxyethoxy)phenyl]pyrrolidine-1-carbonyl]-2-propyl-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;[3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-3-(4-methylphenoxy)-2-propylpiperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;[(2R,3S)-3-(4-phenylpiperidine-1-carbonyl)-2-propyl-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;[(2R,3S)-2-propyl-3-(4-pyrimidin-2-yloxypiperidine-1-carbonyl)-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone

C135H143F22N15O16 — CID 160821351

IUPAC[(2R,3S)-3-[3-[2-fluoro-6-(2-hydroxyethoxy)phenyl]pyrrolidine-1-carbonyl]-2-propyl-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;[3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-3-(4-methylphenoxy)-2-propylpiperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;[(2R,3S)-3-(4-phenylpiperidine-1-carbonyl)-2-propyl-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;[(2R,3S)-2-propyl-3-(4-pyrimidin-2-yloxypiperidine-1-carbonyl)-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone
SMILESCCCC1N(C(=O)c2cnccc2C(F)(F)F)CCCC1(Oc1ccc(C)cc1)C(=O)N1CCN(c2ccccc2OC)CC1.CCC[C@H]1N(C(=O)c2cnccc2C(F)(F)F)CCC[C@@]1(Oc1ccc(C(F)(F)F)cc1)C(=O)N1CCC(Oc2ncccn2)CC1.CCC[C@H]1N(C(=O)c2cnccc2C(F)(F)F)CCC[C@@]1(Oc1ccc(C(F)(F)F)cc1)C(=O)N1CCC(c2c(F)cccc2OCCO)C1.CCC[C@H]1N(C(=O)c2cnccc2C(F)(F)F)CCC[C@@]1(Oc1ccc(C(F)(F)F)cc1)C(=O)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C35H36F7N3O5.C34H35F6N3O3.C34H39F3N4O4.C32H33F6N5O4/c1-2-5-29-33(50-24-10-8-23(9-11-24)34(37,38)39,14-4-16-45(29)31(47)25-20-43-15-12-26(25)35(40,41)42)32(48)44-17-13-22(21-44)30-27(36)6-3-7-28(30)49-19-18-46;1-2-7-29-32(46-26-12-10-25(11-13-26)33(35,36)37,31(45)42-20-15-24(16-21-42)23-8-4-3-5-9-23)17-6-19-43(29)30(44)27-22-41-18-14-28(27)34(38,39)40;1-4-8-30-33(45-25-13-11-24(2)12-14-25,16-7-18-41(30)31(42)26-23-38-17-15-27(26)34(35,36)37)32(43)40-21-19-39(20-22-40)28-9-5-6-10-29(28)44-3;1-2-5-26-30(47-23-8-6-21(7-9-23)31(33,34)35,28(45)42-18-11-22(12-19-42)46-29-40-14-4-15-41-29)13-3-17-43(26)27(44)24-20-39-16-10-25(24)32(36,37)38/h3,6-12,15,20,22,29,46H,2,4-5,13-14,16-19,21H2,1H3;3-5,8-14,18,22,24,29H,2,6-7,15-17,19-21H2,1H3;5-6,9-15,17,23,30H,4,7-8,16,18-22H2,1-3H3;4,6-10,14-16,20,22,26H,2-3,5,11-13,17-19H2,1H3/t22?,29-,33+;29-,32+;;26-,30+/m11.1/s1
InChIKeySFPBAOZQUOQLGL-YEQFCCDOSA-N
MW2649.67 g/mol
LogP26.81
Rot. Bonds33

About [(2R,3S)-3-[3-[2-fluoro-6-(2-hydroxyethoxy)phenyl]pyrrolidine-1-carbonyl]-2-propyl-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;[3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-3-(4-methylphenoxy)-2-propylpiperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;[(2R,3S)-3-(4-phenylpiperidine-1-carbonyl)-2-propyl-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;[(2R,3S)-2-propyl-3-(4-pyrimidin-2-yloxypiperidine-1-carbonyl)-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone

[(2R,3S)-3-[3-[2-fluoro-6-(2-hydroxyethoxy)phenyl]pyrrolidine-1-carbonyl]-2-propyl-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;[3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-3-(4-methylphenoxy)-2-propylpiperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;[(2R,3S)-3-(4-phenylpiperidine-1-carbonyl)-2-propyl-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;[(2R,3S)-2-propyl-3-(4-pyrimidin-2-yloxypiperidine-1-carbonyl)-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone (PubChem CID 160821351) has the molecular formula C135H143F22N15O16 and a molecular weight of 2649.67 g/mol. Its IUPAC name is [(2R,3S)-3-[3-[2-fluoro-6-(2-hydroxyethoxy)phenyl]pyrrolidine-1-carbonyl]-2-propyl-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;[3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-3-(4-methylphenoxy)-2-propylpiperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;[(2R,3S)-3-(4-phenylpiperidine-1-carbonyl)-2-propyl-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;[(2R,3S)-2-propyl-3-(4-pyrimidin-2-yloxypiperidine-1-carbonyl)-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[(2R,3S)-3-[3-[2-fluoro-6-(2-hydroxyethoxy)phenyl]pyrrolidine-1-carbonyl]-2-propyl-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;[3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-3-(4-methylphenoxy)-2-propylpiperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;[(2R,3S)-3-(4-phenylpiperidine-1-carbonyl)-2-propyl-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;[(2R,3S)-2-propyl-3-(4-pyrimidin-2-yloxypiperidine-1-carbonyl)-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone
PubChem CID160821351
Molecular FormulaC135H143F22N15O16
Molecular Weight2649.67 g/mol
Exact Mass2648.05
IUPAC Name[(2R,3S)-3-[3-[2-fluoro-6-(2-hydroxyethoxy)phenyl]pyrrolidine-1-carbonyl]-2-propyl-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;[3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-3-(4-methylphenoxy)-2-propylpiperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;[(2R,3S)-3-(4-phenylpiperidine-1-carbonyl)-2-propyl-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;[(2R,3S)-2-propyl-3-(4-pyrimidin-2-yloxypiperidine-1-carbonyl)-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone
SMILESCCCC1N(C(=O)c2cnccc2C(F)(F)F)CCCC1(Oc1ccc(C)cc1)C(=O)N1CCN(c2ccccc2OC)CC1.CCC[C@H]1N(C(=O)c2cnccc2C(F)(F)F)CCC[C@@]1(Oc1ccc(C(F)(F)F)cc1)C(=O)N1CCC(Oc2ncccn2)CC1.CCC[C@H]1N(C(=O)c2cnccc2C(F)(F)F)CCC[C@@]1(Oc1ccc(C(F)(F)F)cc1)C(=O)N1CCC(c2c(F)cccc2OCCO)C1.CCC[C@H]1N(C(=O)c2cnccc2C(F)(F)F)CCC[C@@]1(Oc1ccc(C(F)(F)F)cc1)C(=O)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C35H36F7N3O5.C34H35F6N3O3.C34H39F3N4O4.C32H33F6N5O4/c1-2-5-29-33(50-24-10-8-23(9-11-24)34(37,38)39,14-4-16-45(29)31(47)25-20-43-15-12-26(25)35(40,41)42)32(48)44-17-13-22(21-44)30-27(36)6-3-7-28(30)49-19-18-46;1-2-7-29-32(46-26-12-10-25(11-13-26)33(35,36)37,31(45)42-20-15-24(16-21-42)23-8-4-3-5-9-23)17-6-19-43(29)30(44)27-22-41-18-14-28(27)34(38,39)40;1-4-8-30-33(45-25-13-11-24(2)12-14-25,16-7-18-41(30)31(42)26-23-38-17-15-27(26)34(35,36)37)32(43)40-21-19-39(20-22-40)28-9-5-6-10-29(28)44-3;1-2-5-26-30(47-23-8-6-21(7-9-23)31(33,34)35,28(45)42-18-11-22(12-19-42)46-29-40-14-4-15-41-29)13-3-17-43(26)27(44)24-20-39-16-10-25(24)32(36,37)38/h3,6-12,15,20,22,29,46H,2,4-5,13-14,16-19,21H2,1H3;3-5,8-14,18,22,24,29H,2,6-7,15-17,19-21H2,1H3;5-6,9-15,17,23,30H,4,7-8,16,18-22H2,1-3H3;4,6-10,14-16,20,22,26H,2-3,5,11-13,17-19H2,1H3/t22?,29-,33+;29-,32+;;26-,30+/m11.1/s1
InChIKeySFPBAOZQUOQLGL-YEQFCCDOSA-N
XLogP26.81
TPSA327.90 Ų
H-Bond Donors1
H-Bond Acceptors23
Rotatable Bonds33
Heavy Atoms188
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002649.67
LogP ≤ 526.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1023

Analyze [(2R,3S)-3-[3-[2-fluoro-6-(2-hydroxyethoxy)phenyl]pyrrolidine-1-carbonyl]-2-propyl-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;[3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-3-(4-methylphenoxy)-2-propylpiperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;[(2R,3S)-3-(4-phenylpiperidine-1-carbonyl)-2-propyl-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;[(2R,3S)-2-propyl-3-(4-pyrimidin-2-yloxypiperidine-1-carbonyl)-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone with MolForge

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Related Compounds

[(2R,3S)-2-propyl-3-(4-pyrimidin-2-yloxypiperidine-1-carbonyl)-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)pyridin-3-yl]methanone
CID 59648009
[(2R,3S)-2-propyl-3-(4-pyrimidin-4-yloxypiperidine-1-carbonyl)-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 127047554
[(2R,3S)-2-propyl-3-(4-pyrimidin-5-yloxypiperidine-1-carbonyl)-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 127047555
[(2R,3S)-3-[3-(2,4-dimethoxypyrimidin-5-yl)pyrrolidine-1-carbonyl]-2-propyl-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)pyridin-3-yl]methanone
CID 59648193
[4-(1,1-difluoroethyl)-3-pyridinyl]-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone;[(3S)-3-[4-[2-(2-methoxyethoxy)phenyl]piperazine-1-carbonyl]-2-prop-2-enyl-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 90805125
[4-(1,1-difluoroethyl)-3-pyridinyl]-[(2R,3S)-2-(1,2-dihydroxypropyl)-3-[4-[2-(2-methoxyethoxy)phenyl]piperazine-1-carbonyl]-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone;[(3S)-3-[4-[2-(2-methoxyethoxy)phenyl]piperazine-1-carbonyl]-2-prop-2-enyl-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;[(3S)-3-[4-[2-(2-methoxyethoxy)phenyl]piperazine-1-carbonyl]-2-propyl-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 91136187
[4-(1,1-difluoroethyl)-3-pyridinyl]-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone;bis([(3S)-3-[4-[2-(2-methoxyethoxy)phenyl]piperazine-1-carbonyl]-2-propyl-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone)
CID 91295076
[4-(1,1-difluoroethyl)-3-pyridinyl]-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone;[(3S)-3-[4-[2-(2-methoxyethoxy)phenyl]piperazine-1-carbonyl]-2-prop-2-enyl-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;[(3S)-3-[4-[2-(2-methoxyethoxy)phenyl]piperazine-1-carbonyl]-2-propyl-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 157578889
[4-(1,1-difluoroethyl)-3-pyridinyl]-[(3S)-3-[4-[2-(2-methoxyethoxy)phenyl]piperazine-1-carbonyl]-2-prop-2-enyl-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone;[4-(1,1-difluoroethyl)-3-pyridinyl]-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone;[(3S)-3-[4-[2-(2-methoxyethoxy)phenyl]piperazine-1-carbonyl]-2-propyl-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 157827737
[4-(1,1-difluoroethyl)-3-pyridinyl]-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone;methane;[(3S)-3-[4-[2-(2-methoxyethoxy)phenyl]piperazine-1-carbonyl]-2-prop-2-enyl-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;[(3S)-3-[4-[2-(2-methoxyethoxy)phenyl]piperazine-1-carbonyl]-2-propyl-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 158012073
[(2R,3S)-3-[(3S)-3-[2-(2-hydroxyethoxy)phenyl]pyrrolidine-1-carbonyl]-2-propyl-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;[(2R,3S)-3-[3-(2-hydroxyphenyl)pyrrolidine-1-carbonyl]-2-propyl-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;[(3S)-3-[4-[2-(2-methoxyethoxy)phenyl]-2-(2-methoxyethyl)piperazine-1-carbonyl]-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;4-phenyl-1-[(2R,3S)-2-propyl-3-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carbonyl]piperidine-4-carbonitrile
CID 158811277
[4-(1,1-difluoroethyl)-3-pyridinyl]-[(3S)-3-[4-[2-(2-methoxyethoxy)phenyl]piperazine-1-carbonyl]-2-prop-2-enyl-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone;[4-(1,1-difluoroethyl)-3-pyridinyl]-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone;methane;[(3S)-3-[4-[2-(2-methoxyethoxy)phenyl]piperazine-1-carbonyl]-2-propyl-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 158941825

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-3-[3-[2-fluoro-6-(2-hydroxyethoxy)phenyl]pyrrolidine-1-carbonyl]-2-propyl-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;[3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-3-(4-methylphenoxy)-2-propylpiperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;[(2R,3S)-3-(4-phenylpiperidine-1-carbonyl)-2-propyl-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;[(2R,3S)-2-propyl-3-(4-pyrimidin-2-yloxypiperidine-1-carbonyl)-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone?
The IUPAC name of [(2R,3S)-3-[3-[2-fluoro-6-(2-hydroxyethoxy)phenyl]pyrrolidine-1-carbonyl]-2-propyl-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;[3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-3-(4-methylphenoxy)-2-propylpiperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;[(2R,3S)-3-(4-phenylpiperidine-1-carbonyl)-2-propyl-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;[(2R,3S)-2-propyl-3-(4-pyrimidin-2-yloxypiperidine-1-carbonyl)-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone (CID 160821351) is [(2R,3S)-3-[3-[2-fluoro-6-(2-hydroxyethoxy)phenyl]pyrrolidine-1-carbonyl]-2-propyl-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;[3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-3-(4-methylphenoxy)-2-propylpiperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;[(2R,3S)-3-(4-phenylpiperidine-1-carbonyl)-2-propyl-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;[(2R,3S)-2-propyl-3-(4-pyrimidin-2-yloxypiperidine-1-carbonyl)-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone.
What is the SMILES notation for [(2R,3S)-3-[3-[2-fluoro-6-(2-hydroxyethoxy)phenyl]pyrrolidine-1-carbonyl]-2-propyl-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;[3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-3-(4-methylphenoxy)-2-propylpiperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;[(2R,3S)-3-(4-phenylpiperidine-1-carbonyl)-2-propyl-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;[(2R,3S)-2-propyl-3-(4-pyrimidin-2-yloxypiperidine-1-carbonyl)-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone?
The canonical SMILES for [(2R,3S)-3-[3-[2-fluoro-6-(2-hydroxyethoxy)phenyl]pyrrolidine-1-carbonyl]-2-propyl-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;[3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-3-(4-methylphenoxy)-2-propylpiperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;[(2R,3S)-3-(4-phenylpiperidine-1-carbonyl)-2-propyl-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;[(2R,3S)-2-propyl-3-(4-pyrimidin-2-yloxypiperidine-1-carbonyl)-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone is CCCC1N(C(=O)c2cnccc2C(F)(F)F)CCCC1(Oc1ccc(C)cc1)C(=O)N1CCN(c2ccccc2OC)CC1.CCC[C@H]1N(C(=O)c2cnccc2C(F)(F)F)CCC[C@@]1(Oc1ccc(C(F)(F)F)cc1)C(=O)N1CCC(Oc2ncccn2)CC1.CCC[C@H]1N(C(=O)c2cnccc2C(F)(F)F)CCC[C@@]1(Oc1ccc(C(F)(F)F)cc1)C(=O)N1CCC(c2c(F)cccc2OCCO)C1.CCC[C@H]1N(C(=O)c2cnccc2C(F)(F)F)CCC[C@@]1(Oc1ccc(C(F)(F)F)cc1)C(=O)N1CCC(c2ccccc2)CC1.
What is the InChIKey of [(2R,3S)-3-[3-[2-fluoro-6-(2-hydroxyethoxy)phenyl]pyrrolidine-1-carbonyl]-2-propyl-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;[3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-3-(4-methylphenoxy)-2-propylpiperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;[(2R,3S)-3-(4-phenylpiperidine-1-carbonyl)-2-propyl-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;[(2R,3S)-2-propyl-3-(4-pyrimidin-2-yloxypiperidine-1-carbonyl)-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone?
The InChIKey is SFPBAOZQUOQLGL-YEQFCCDOSA-N. The full InChI is InChI=1S/C35H36F7N3O5.C34H35F6N3O3.C34H39F3N4O4.C32H33F6N5O4/c1-2-5-29-33(50-24-10-8-23(9-11-24)34(37,38)39,14-4-16-45(29)31(47)25-20-43-15-12-26(25)35(40,41)42)32(48)44-17-13-22(21-44)30-27(36)6-3-7-28(30)49-19-18-46;1-2-7-29-32(46-26-12-10-25(11-13-26)33(35,36)37,31(45)42-20-15-24(16-21-42)23-8-4-3-5-9-23)17-6-19-43(29)30(44)27-22-41-18-14-28(27)34(38,39)40;1-4-8-30-33(45-25-13-11-24(2)12-14-25,16-7-18-41(30)31(42)26-23-38-17-15-27(26)34(35,36)37)32(43)40-21-19-39(20-22-40)28-9-5-6-10-29(28)44-3;1-2-5-26-30(47-23-8-6-21(7-9-23)31(33,34)35,28(45)42-18-11-22(12-19-42)46-29-40-14-4-15-41-29)13-3-17-43(26)27(44)24-20-39-16-10-25(24)32(36,37)38/h3,6-12,15,20,22,29,46H,2,4-5,13-14,16-19,21H2,1H3;3-5,8-14,18,22,24,29H,2,6-7,15-17,19-21H2,1H3;5-6,9-15,17,23,30H,4,7-8,16,18-22H2,1-3H3;4,6-10,14-16,20,22,26H,2-3,5,11-13,17-19H2,1H3/t22?,29-,33+;29-,32+;;26-,30+/m11.1/s1.
What are the key properties of [(2R,3S)-3-[3-[2-fluoro-6-(2-hydroxyethoxy)phenyl]pyrrolidine-1-carbonyl]-2-propyl-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;[3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-3-(4-methylphenoxy)-2-propylpiperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;[(2R,3S)-3-(4-phenylpiperidine-1-carbonyl)-2-propyl-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;[(2R,3S)-2-propyl-3-(4-pyrimidin-2-yloxypiperidine-1-carbonyl)-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone?
[(2R,3S)-3-[3-[2-fluoro-6-(2-hydroxyethoxy)phenyl]pyrrolidine-1-carbonyl]-2-propyl-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;[3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-3-(4-methylphenoxy)-2-propylpiperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;[(2R,3S)-3-(4-phenylpiperidine-1-carbonyl)-2-propyl-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;[(2R,3S)-2-propyl-3-(4-pyrimidin-2-yloxypiperidine-1-carbonyl)-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone has a molecular weight of 2649.67 g/mol, XLogP of 26.81, 33 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-3-[3-[2-fluoro-6-(2-hydroxyethoxy)phenyl]pyrrolidine-1-carbonyl]-2-propyl-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;[3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-3-(4-methylphenoxy)-2-propylpiperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;[(2R,3S)-3-(4-phenylpiperidine-1-carbonyl)-2-propyl-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;[(2R,3S)-2-propyl-3-(4-pyrimidin-2-yloxypiperidine-1-carbonyl)-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone is sourced from PubChem (CID 160821351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).