(2R,3S)-3-(4-methylphenoxy)-2-propyl-1-[3-(trifluoromethyl)pyridine-2-carbonyl]piperidine-3-carboxylic acid;(2R,3S)-3-(4-methylphenoxy)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carboxylic acid;(2R,3S)-3-(5-methylthiophen-3-yl)oxy-2-propyl-1-[3-(trifluoromethyl)pyridine-2-carbonyl]piperidine-3-carboxylic acid;(2R,3S)-3-(5-methylthiophen-3-yl)oxy-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carboxylic acid

C88H96F12N8O16S2 — CID 158316703

IUPAC(2R,3S)-3-(4-methylphenoxy)-2-propyl-1-[3-(trifluoromethyl)pyridine-2-carbonyl]piperidine-3-carboxylic acid;(2R,3S)-3-(4-methylphenoxy)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carboxylic acid;(2R,3S)-3-(5-methylthiophen-3-yl)oxy-2-propyl-1-[3-(trifluoromethyl)pyridine-2-carbonyl]piperidine-3-carboxylic acid;(2R,3S)-3-(5-methylthiophen-3-yl)oxy-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carboxylic acid
SMILESCCC[C@H]1N(C(=O)c2cnccc2C(F)(F)F)CCC[C@@]1(Oc1ccc(C)cc1)C(=O)O.CCC[C@H]1N(C(=O)c2cnccc2C(F)(F)F)CCC[C@@]1(Oc1csc(C)c1)C(=O)O.CCC[C@H]1N(C(=O)c2ncccc2C(F)(F)F)CCC[C@@]1(Oc1ccc(C)cc1)C(=O)O.CCC[C@H]1N(C(=O)c2ncccc2C(F)(F)F)CCC[C@@]1(Oc1csc(C)c1)C(=O)O
InChIInChI=1S/2C23H25F3N2O4.2C21H23F3N2O4S/c1-3-6-18-22(21(30)31,32-16-10-8-15(2)9-11-16)12-5-14-28(18)20(29)19-17(23(24,25)26)7-4-13-27-19;1-3-5-19-22(21(30)31,32-16-8-6-15(2)7-9-16)11-4-13-28(19)20(29)17-14-27-12-10-18(17)23(24,25)26;1-3-6-16-20(19(28)29,30-14-11-13(2)31-12-14)8-5-10-26(16)18(27)17-15(21(22,23)24)7-4-9-25-17;1-3-5-17-20(19(28)29,30-14-10-13(2)31-12-14)7-4-9-26(17)18(27)15-11-25-8-6-16(15)21(22,23)24/h4,7-11,13,18H,3,5-6,12,14H2,1-2H3,(H,30,31);6-10,12,14,19H,3-5,11,13H2,1-2H3,(H,30,31);4,7,9,11-12,16H,3,5-6,8,10H2,1-2H3,(H,28,29);6,8,10-12,17H,3-5,7,9H2,1-2H3,(H,28,29)/t18-,22+;19-,22+;16-,20+;17-,20+/m1111/s1
InChIKeyGOIPBOWDICDBAP-CVPGWDALSA-N
MW1813.89 g/mol
LogP18.99
Rot. Bonds24

About (2R,3S)-3-(4-methylphenoxy)-2-propyl-1-[3-(trifluoromethyl)pyridine-2-carbonyl]piperidine-3-carboxylic acid;(2R,3S)-3-(4-methylphenoxy)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carboxylic acid;(2R,3S)-3-(5-methylthiophen-3-yl)oxy-2-propyl-1-[3-(trifluoromethyl)pyridine-2-carbonyl]piperidine-3-carboxylic acid;(2R,3S)-3-(5-methylthiophen-3-yl)oxy-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carboxylic acid

(2R,3S)-3-(4-methylphenoxy)-2-propyl-1-[3-(trifluoromethyl)pyridine-2-carbonyl]piperidine-3-carboxylic acid;(2R,3S)-3-(4-methylphenoxy)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carboxylic acid;(2R,3S)-3-(5-methylthiophen-3-yl)oxy-2-propyl-1-[3-(trifluoromethyl)pyridine-2-carbonyl]piperidine-3-carboxylic acid;(2R,3S)-3-(5-methylthiophen-3-yl)oxy-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carboxylic acid (PubChem CID 158316703) has the molecular formula C88H96F12N8O16S2 and a molecular weight of 1813.89 g/mol. Its IUPAC name is (2R,3S)-3-(4-methylphenoxy)-2-propyl-1-[3-(trifluoromethyl)pyridine-2-carbonyl]piperidine-3-carboxylic acid;(2R,3S)-3-(4-methylphenoxy)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carboxylic acid;(2R,3S)-3-(5-methylthiophen-3-yl)oxy-2-propyl-1-[3-(trifluoromethyl)pyridine-2-carbonyl]piperidine-3-carboxylic acid;(2R,3S)-3-(5-methylthiophen-3-yl)oxy-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(2R,3S)-3-(4-methylphenoxy)-2-propyl-1-[3-(trifluoromethyl)pyridine-2-carbonyl]piperidine-3-carboxylic acid;(2R,3S)-3-(4-methylphenoxy)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carboxylic acid;(2R,3S)-3-(5-methylthiophen-3-yl)oxy-2-propyl-1-[3-(trifluoromethyl)pyridine-2-carbonyl]piperidine-3-carboxylic acid;(2R,3S)-3-(5-methylthiophen-3-yl)oxy-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carboxylic acid
PubChem CID158316703
Molecular FormulaC88H96F12N8O16S2
Molecular Weight1813.89 g/mol
Exact Mass1812.62
IUPAC Name(2R,3S)-3-(4-methylphenoxy)-2-propyl-1-[3-(trifluoromethyl)pyridine-2-carbonyl]piperidine-3-carboxylic acid;(2R,3S)-3-(4-methylphenoxy)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carboxylic acid;(2R,3S)-3-(5-methylthiophen-3-yl)oxy-2-propyl-1-[3-(trifluoromethyl)pyridine-2-carbonyl]piperidine-3-carboxylic acid;(2R,3S)-3-(5-methylthiophen-3-yl)oxy-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carboxylic acid
SMILESCCC[C@H]1N(C(=O)c2cnccc2C(F)(F)F)CCC[C@@]1(Oc1ccc(C)cc1)C(=O)O.CCC[C@H]1N(C(=O)c2cnccc2C(F)(F)F)CCC[C@@]1(Oc1csc(C)c1)C(=O)O.CCC[C@H]1N(C(=O)c2ncccc2C(F)(F)F)CCC[C@@]1(Oc1ccc(C)cc1)C(=O)O.CCC[C@H]1N(C(=O)c2ncccc2C(F)(F)F)CCC[C@@]1(Oc1csc(C)c1)C(=O)O
InChIInChI=1S/2C23H25F3N2O4.2C21H23F3N2O4S/c1-3-6-18-22(21(30)31,32-16-10-8-15(2)9-11-16)12-5-14-28(18)20(29)19-17(23(24,25)26)7-4-13-27-19;1-3-5-19-22(21(30)31,32-16-8-6-15(2)7-9-16)11-4-13-28(19)20(29)17-14-27-12-10-18(17)23(24,25)26;1-3-6-16-20(19(28)29,30-14-11-13(2)31-12-14)8-5-10-26(16)18(27)17-15(21(22,23)24)7-4-9-25-17;1-3-5-17-20(19(28)29,30-14-10-13(2)31-12-14)7-4-9-26(17)18(27)15-11-25-8-6-16(15)21(22,23)24/h4,7-11,13,18H,3,5-6,12,14H2,1-2H3,(H,30,31);6-10,12,14,19H,3-5,11,13H2,1-2H3,(H,30,31);4,7,9,11-12,16H,3,5-6,8,10H2,1-2H3,(H,28,29);6,8,10-12,17H,3-5,7,9H2,1-2H3,(H,28,29)/t18-,22+;19-,22+;16-,20+;17-,20+/m1111/s1
InChIKeyGOIPBOWDICDBAP-CVPGWDALSA-N
XLogP18.99
TPSA318.92 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds24
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001813.89
LogP ≤ 518.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Analyze (2R,3S)-3-(4-methylphenoxy)-2-propyl-1-[3-(trifluoromethyl)pyridine-2-carbonyl]piperidine-3-carboxylic acid;(2R,3S)-3-(4-methylphenoxy)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carboxylic acid;(2R,3S)-3-(5-methylthiophen-3-yl)oxy-2-propyl-1-[3-(trifluoromethyl)pyridine-2-carbonyl]piperidine-3-carboxylic acid;(2R,3S)-3-(5-methylthiophen-3-yl)oxy-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-(4-methylphenoxy)-2-propyl-1-[3-(trifluoromethyl)pyridine-2-carbonyl]piperidine-3-carboxylic acid;(2R,3S)-3-(4-methylphenoxy)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carboxylic acid;(2R,3S)-3-(5-methylthiophen-3-yl)oxy-2-propyl-1-[3-(trifluoromethyl)pyridine-2-carbonyl]piperidine-3-carboxylic acid;(2R,3S)-3-(5-methylthiophen-3-yl)oxy-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carboxylic acid?
The IUPAC name of (2R,3S)-3-(4-methylphenoxy)-2-propyl-1-[3-(trifluoromethyl)pyridine-2-carbonyl]piperidine-3-carboxylic acid;(2R,3S)-3-(4-methylphenoxy)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carboxylic acid;(2R,3S)-3-(5-methylthiophen-3-yl)oxy-2-propyl-1-[3-(trifluoromethyl)pyridine-2-carbonyl]piperidine-3-carboxylic acid;(2R,3S)-3-(5-methylthiophen-3-yl)oxy-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carboxylic acid (CID 158316703) is (2R,3S)-3-(4-methylphenoxy)-2-propyl-1-[3-(trifluoromethyl)pyridine-2-carbonyl]piperidine-3-carboxylic acid;(2R,3S)-3-(4-methylphenoxy)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carboxylic acid;(2R,3S)-3-(5-methylthiophen-3-yl)oxy-2-propyl-1-[3-(trifluoromethyl)pyridine-2-carbonyl]piperidine-3-carboxylic acid;(2R,3S)-3-(5-methylthiophen-3-yl)oxy-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (2R,3S)-3-(4-methylphenoxy)-2-propyl-1-[3-(trifluoromethyl)pyridine-2-carbonyl]piperidine-3-carboxylic acid;(2R,3S)-3-(4-methylphenoxy)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carboxylic acid;(2R,3S)-3-(5-methylthiophen-3-yl)oxy-2-propyl-1-[3-(trifluoromethyl)pyridine-2-carbonyl]piperidine-3-carboxylic acid;(2R,3S)-3-(5-methylthiophen-3-yl)oxy-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carboxylic acid?
The canonical SMILES for (2R,3S)-3-(4-methylphenoxy)-2-propyl-1-[3-(trifluoromethyl)pyridine-2-carbonyl]piperidine-3-carboxylic acid;(2R,3S)-3-(4-methylphenoxy)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carboxylic acid;(2R,3S)-3-(5-methylthiophen-3-yl)oxy-2-propyl-1-[3-(trifluoromethyl)pyridine-2-carbonyl]piperidine-3-carboxylic acid;(2R,3S)-3-(5-methylthiophen-3-yl)oxy-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carboxylic acid is CCC[C@H]1N(C(=O)c2cnccc2C(F)(F)F)CCC[C@@]1(Oc1ccc(C)cc1)C(=O)O.CCC[C@H]1N(C(=O)c2cnccc2C(F)(F)F)CCC[C@@]1(Oc1csc(C)c1)C(=O)O.CCC[C@H]1N(C(=O)c2ncccc2C(F)(F)F)CCC[C@@]1(Oc1ccc(C)cc1)C(=O)O.CCC[C@H]1N(C(=O)c2ncccc2C(F)(F)F)CCC[C@@]1(Oc1csc(C)c1)C(=O)O.
What is the InChIKey of (2R,3S)-3-(4-methylphenoxy)-2-propyl-1-[3-(trifluoromethyl)pyridine-2-carbonyl]piperidine-3-carboxylic acid;(2R,3S)-3-(4-methylphenoxy)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carboxylic acid;(2R,3S)-3-(5-methylthiophen-3-yl)oxy-2-propyl-1-[3-(trifluoromethyl)pyridine-2-carbonyl]piperidine-3-carboxylic acid;(2R,3S)-3-(5-methylthiophen-3-yl)oxy-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carboxylic acid?
The InChIKey is GOIPBOWDICDBAP-CVPGWDALSA-N. The full InChI is InChI=1S/2C23H25F3N2O4.2C21H23F3N2O4S/c1-3-6-18-22(21(30)31,32-16-10-8-15(2)9-11-16)12-5-14-28(18)20(29)19-17(23(24,25)26)7-4-13-27-19;1-3-5-19-22(21(30)31,32-16-8-6-15(2)7-9-16)11-4-13-28(19)20(29)17-14-27-12-10-18(17)23(24,25)26;1-3-6-16-20(19(28)29,30-14-11-13(2)31-12-14)8-5-10-26(16)18(27)17-15(21(22,23)24)7-4-9-25-17;1-3-5-17-20(19(28)29,30-14-10-13(2)31-12-14)7-4-9-26(17)18(27)15-11-25-8-6-16(15)21(22,23)24/h4,7-11,13,18H,3,5-6,12,14H2,1-2H3,(H,30,31);6-10,12,14,19H,3-5,11,13H2,1-2H3,(H,30,31);4,7,9,11-12,16H,3,5-6,8,10H2,1-2H3,(H,28,29);6,8,10-12,17H,3-5,7,9H2,1-2H3,(H,28,29)/t18-,22+;19-,22+;16-,20+;17-,20+/m1111/s1.
What are the key properties of (2R,3S)-3-(4-methylphenoxy)-2-propyl-1-[3-(trifluoromethyl)pyridine-2-carbonyl]piperidine-3-carboxylic acid;(2R,3S)-3-(4-methylphenoxy)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carboxylic acid;(2R,3S)-3-(5-methylthiophen-3-yl)oxy-2-propyl-1-[3-(trifluoromethyl)pyridine-2-carbonyl]piperidine-3-carboxylic acid;(2R,3S)-3-(5-methylthiophen-3-yl)oxy-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carboxylic acid?
(2R,3S)-3-(4-methylphenoxy)-2-propyl-1-[3-(trifluoromethyl)pyridine-2-carbonyl]piperidine-3-carboxylic acid;(2R,3S)-3-(4-methylphenoxy)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carboxylic acid;(2R,3S)-3-(5-methylthiophen-3-yl)oxy-2-propyl-1-[3-(trifluoromethyl)pyridine-2-carbonyl]piperidine-3-carboxylic acid;(2R,3S)-3-(5-methylthiophen-3-yl)oxy-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carboxylic acid has a molecular weight of 1813.89 g/mol, XLogP of 18.99, 24 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-(4-methylphenoxy)-2-propyl-1-[3-(trifluoromethyl)pyridine-2-carbonyl]piperidine-3-carboxylic acid;(2R,3S)-3-(4-methylphenoxy)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carboxylic acid;(2R,3S)-3-(5-methylthiophen-3-yl)oxy-2-propyl-1-[3-(trifluoromethyl)pyridine-2-carbonyl]piperidine-3-carboxylic acid;(2R,3S)-3-(5-methylthiophen-3-yl)oxy-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 158316703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).