2-hydroxy-N-[[2-[4-[(2R,3S)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperazin-1-yl]phenyl]methyl]acetamide;2-methoxy-N-[[2-[4-[(2R,3S)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperazin-1-yl]phenyl]methyl]acetamide

C69H76F12N10O10S2 — CID 161267617

IUPAC2-hydroxy-N-[[2-[4-[(2R,3S)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperazin-1-yl]phenyl]methyl]acetamide;2-methoxy-N-[[2-[4-[(2R,3S)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperazin-1-yl]phenyl]methyl]acetamide
SMILESCCC[C@H]1N(C(=O)c2cnccc2C(F)(F)F)CCC[C@@]1(Oc1csc(C(F)(F)F)c1)C(=O)N1CCN(c2ccccc2CNC(=O)CO)CC1.CCC[C@H]1N(C(=O)c2cnccc2C(F)(F)F)CCC[C@@]1(Oc1csc(C(F)(F)F)c1)C(=O)N1CCN(c2ccccc2CNC(=O)COC)CC1
InChIInChI=1S/C35H39F6N5O5S.C34H37F6N5O5S/c1-3-7-28-33(51-24-18-29(52-22-24)35(39,40)41,11-6-13-46(28)31(48)25-20-42-12-10-26(25)34(36,37)38)32(49)45-16-14-44(15-17-45)27-9-5-4-8-23(27)19-43-30(47)21-50-2;1-2-6-27-32(50-23-17-28(51-21-23)34(38,39)40,10-5-12-45(27)30(48)24-19-41-11-9-25(24)33(35,36)37)31(49)44-15-13-43(14-16-44)26-8-4-3-7-22(26)18-42-29(47)20-46/h4-5,8-10,12,18,20,22,28H,3,6-7,11,13-17,19,21H2,1-2H3,(H,43,47);3-4,7-9,11,17,19,21,27,46H,2,5-6,10,12-16,18,20H2,1H3,(H,42,47)/t28-,33+;27-,32+/m11/s1
InChIKeyVDJYFGASWYHPAX-ACKDSNRPSA-N
MW1497.54 g/mol
LogP11.38
Rot. Bonds21

About 2-hydroxy-N-[[2-[4-[(2R,3S)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperazin-1-yl]phenyl]methyl]acetamide;2-methoxy-N-[[2-[4-[(2R,3S)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperazin-1-yl]phenyl]methyl]acetamide

2-hydroxy-N-[[2-[4-[(2R,3S)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperazin-1-yl]phenyl]methyl]acetamide;2-methoxy-N-[[2-[4-[(2R,3S)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperazin-1-yl]phenyl]methyl]acetamide (PubChem CID 161267617) has the molecular formula C69H76F12N10O10S2 and a molecular weight of 1497.54 g/mol. Its IUPAC name is 2-hydroxy-N-[[2-[4-[(2R,3S)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperazin-1-yl]phenyl]methyl]acetamide;2-methoxy-N-[[2-[4-[(2R,3S)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperazin-1-yl]phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-hydroxy-N-[[2-[4-[(2R,3S)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperazin-1-yl]phenyl]methyl]acetamide;2-methoxy-N-[[2-[4-[(2R,3S)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperazin-1-yl]phenyl]methyl]acetamide
PubChem CID161267617
Molecular FormulaC69H76F12N10O10S2
Molecular Weight1497.54 g/mol
Exact Mass1496.50
IUPAC Name2-hydroxy-N-[[2-[4-[(2R,3S)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperazin-1-yl]phenyl]methyl]acetamide;2-methoxy-N-[[2-[4-[(2R,3S)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperazin-1-yl]phenyl]methyl]acetamide
SMILESCCC[C@H]1N(C(=O)c2cnccc2C(F)(F)F)CCC[C@@]1(Oc1csc(C(F)(F)F)c1)C(=O)N1CCN(c2ccccc2CNC(=O)CO)CC1.CCC[C@H]1N(C(=O)c2cnccc2C(F)(F)F)CCC[C@@]1(Oc1csc(C(F)(F)F)c1)C(=O)N1CCN(c2ccccc2CNC(=O)COC)CC1
InChIInChI=1S/C35H39F6N5O5S.C34H37F6N5O5S/c1-3-7-28-33(51-24-18-29(52-22-24)35(39,40)41,11-6-13-46(28)31(48)25-20-42-12-10-26(25)34(36,37)38)32(49)45-16-14-44(15-17-45)27-9-5-4-8-23(27)19-43-30(47)21-50-2;1-2-6-27-32(50-23-17-28(51-21-23)34(38,39)40,10-5-12-45(27)30(48)24-19-41-11-9-25(24)33(35,36)37)31(49)44-15-13-43(14-16-44)26-8-4-3-7-22(26)18-42-29(47)20-46/h4-5,8-10,12,18,20,22,28H,3,6-7,11,13-17,19,21H2,1-2H3,(H,43,47);3-4,7-9,11,17,19,21,27,46H,2,5-6,10,12-16,18,20H2,1H3,(H,42,47)/t28-,33+;27-,32+/m11/s1
InChIKeyVDJYFGASWYHPAX-ACKDSNRPSA-N
XLogP11.38
TPSA219.62 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds21
Heavy Atoms103
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001497.54
LogP ≤ 511.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Analyze 2-hydroxy-N-[[2-[4-[(2R,3S)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperazin-1-yl]phenyl]methyl]acetamide;2-methoxy-N-[[2-[4-[(2R,3S)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperazin-1-yl]phenyl]methyl]acetamide with MolForge

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Related Compounds

{4-[2-(2-Hydroxyethoxy)phenyl]piperazin-1-Yl}[(2r,3s)-2-Propyl-1-{[4-(Trifluoromethyl)pyridin-3-Yl]carbonyl}-3-{[5-(Trifluoromethyl)thiophen-3-Yl]oxy}piperidin-3-Yl]methanone
CID 24968065
4-[2-(4-{[(2r,3s)-2-Propyl-1-{[4-(Trifluoromethyl)pyridin-3-Yl]carbonyl}-3-{[5-(Trifluoromethyl)thiophen-3-Yl]oxy}piperidin-3-Yl]carbonyl}piperazin-1-Yl)phenoxy]butanoic Acid
CID 59648133
2-[2-[4-[(2R,3S)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperazin-1-yl]phenoxy]acetic acid
CID 24968408
5-[2-[4-[(2R,3S)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperazin-1-yl]phenoxy]pentanoic acid
CID 88975523
2,2-dimethyl-3-[2-[4-[(2R,3S)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperazin-1-yl]phenoxy]propanoic acid
CID 127049202
[(2R,3S)-3-[4-[2-(2-hydroxyethoxy)phenyl]piperazine-1-carbonyl]-3-(4-iodothiophen-2-yl)oxy-2-propylpiperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 127050474
[(2R,3S)-3-[4-[2-(2-hydroxy-2-methylpropoxy)phenyl]piperazine-1-carbonyl]-2-propyl-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 127050779
2-methyl-2-[2-[4-[(2R,3S)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperazin-1-yl]phenoxy]propanoic acid
CID 127051055
[(2R,3S)-3-[4-[2-(2-hydroxyethoxy)phenyl]piperazine-1-carbonyl]-3-[2-methyl-5-(trifluoromethyl)thiophen-3-yl]oxy-2-propylpiperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 127052303
[(2R,3S)-3-[4-[2-(1-hydroxy-2-methylpropan-2-yl)oxyphenyl]piperazine-1-carbonyl]-2-propyl-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 127052304
[(2R,3S)-3-[4-[2-(2-hydroxyethoxy)phenyl]piperazine-1-carbonyl]-3-[4-methyl-5-(trifluoromethyl)thiophen-3-yl]oxy-2-propylpiperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 127052925
[(2S,3R)-3-[4-[2-(2-hydroxyethoxy)phenyl]piperazine-1-carbonyl]-2-propyl-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 145948825

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[[2-[4-[(2R,3S)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperazin-1-yl]phenyl]methyl]acetamide;2-methoxy-N-[[2-[4-[(2R,3S)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperazin-1-yl]phenyl]methyl]acetamide?
The IUPAC name of 2-hydroxy-N-[[2-[4-[(2R,3S)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperazin-1-yl]phenyl]methyl]acetamide;2-methoxy-N-[[2-[4-[(2R,3S)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperazin-1-yl]phenyl]methyl]acetamide (CID 161267617) is 2-hydroxy-N-[[2-[4-[(2R,3S)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperazin-1-yl]phenyl]methyl]acetamide;2-methoxy-N-[[2-[4-[(2R,3S)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperazin-1-yl]phenyl]methyl]acetamide.
What is the SMILES notation for 2-hydroxy-N-[[2-[4-[(2R,3S)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperazin-1-yl]phenyl]methyl]acetamide;2-methoxy-N-[[2-[4-[(2R,3S)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperazin-1-yl]phenyl]methyl]acetamide?
The canonical SMILES for 2-hydroxy-N-[[2-[4-[(2R,3S)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperazin-1-yl]phenyl]methyl]acetamide;2-methoxy-N-[[2-[4-[(2R,3S)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperazin-1-yl]phenyl]methyl]acetamide is CCC[C@H]1N(C(=O)c2cnccc2C(F)(F)F)CCC[C@@]1(Oc1csc(C(F)(F)F)c1)C(=O)N1CCN(c2ccccc2CNC(=O)CO)CC1.CCC[C@H]1N(C(=O)c2cnccc2C(F)(F)F)CCC[C@@]1(Oc1csc(C(F)(F)F)c1)C(=O)N1CCN(c2ccccc2CNC(=O)COC)CC1.
What is the InChIKey of 2-hydroxy-N-[[2-[4-[(2R,3S)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperazin-1-yl]phenyl]methyl]acetamide;2-methoxy-N-[[2-[4-[(2R,3S)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperazin-1-yl]phenyl]methyl]acetamide?
The InChIKey is VDJYFGASWYHPAX-ACKDSNRPSA-N. The full InChI is InChI=1S/C35H39F6N5O5S.C34H37F6N5O5S/c1-3-7-28-33(51-24-18-29(52-22-24)35(39,40)41,11-6-13-46(28)31(48)25-20-42-12-10-26(25)34(36,37)38)32(49)45-16-14-44(15-17-45)27-9-5-4-8-23(27)19-43-30(47)21-50-2;1-2-6-27-32(50-23-17-28(51-21-23)34(38,39)40,10-5-12-45(27)30(48)24-19-41-11-9-25(24)33(35,36)37)31(49)44-15-13-43(14-16-44)26-8-4-3-7-22(26)18-42-29(47)20-46/h4-5,8-10,12,18,20,22,28H,3,6-7,11,13-17,19,21H2,1-2H3,(H,43,47);3-4,7-9,11,17,19,21,27,46H,2,5-6,10,12-16,18,20H2,1H3,(H,42,47)/t28-,33+;27-,32+/m11/s1.
What are the key properties of 2-hydroxy-N-[[2-[4-[(2R,3S)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperazin-1-yl]phenyl]methyl]acetamide;2-methoxy-N-[[2-[4-[(2R,3S)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperazin-1-yl]phenyl]methyl]acetamide?
2-hydroxy-N-[[2-[4-[(2R,3S)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperazin-1-yl]phenyl]methyl]acetamide;2-methoxy-N-[[2-[4-[(2R,3S)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperazin-1-yl]phenyl]methyl]acetamide has a molecular weight of 1497.54 g/mol, XLogP of 11.38, 21 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[[2-[4-[(2R,3S)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperazin-1-yl]phenyl]methyl]acetamide;2-methoxy-N-[[2-[4-[(2R,3S)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperazin-1-yl]phenyl]methyl]acetamide is sourced from PubChem (CID 161267617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).