[3-[4-[2-(2-methoxyethoxy)phenyl]piperazine-1-carbonyl]-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-2-prop-2-enylpiperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;[(2R,3S)-3-[3-(3-methylthiophen-2-yl)pyrrolidine-1-carbonyl]-2-propyl-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;[(2R,3S)-3-[3-(4-methylthiophen-3-yl)pyrrolidine-1-carbonyl]-2-propyl-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone

C98H104F18N12O11S2 — CID 158201339

About [3-[4-[2-(2-methoxyethoxy)phenyl]piperazine-1-carbonyl]-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-2-prop-2-enylpiperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;[(2R,3S)-3-[3-(3-methylthiophen-2-yl)pyrrolidine-1-carbonyl]-2-propyl-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;[(2R,3S)-3-[3-(4-methylthiophen-3-yl)pyrrolidine-1-carbonyl]-2-propyl-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone

[3-[4-[2-(2-methoxyethoxy)phenyl]piperazine-1-carbonyl]-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-2-prop-2-enylpiperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;[(2R,3S)-3-[3-(3-methylthiophen-2-yl)pyrrolidine-1-carbonyl]-2-propyl-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;[(2R,3S)-3-[3-(4-methylthiophen-3-yl)pyrrolidine-1-carbonyl]-2-propyl-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone (PubChem CID 158201339) has the molecular formula C98H104F18N12O11S2 and a molecular weight of 2032.08 g/mol. Its IUPAC name is [3-[4-[2-(2-methoxyethoxy)phenyl]piperazine-1-carbonyl]-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-2-prop-2-enylpiperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;[(2R,3S)-3-[3-(3-methylthiophen-2-yl)pyrrolidine-1-carbonyl]-2-propyl-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;[(2R,3S)-3-[3-(4-methylthiophen-3-yl)pyrrolidine-1-carbonyl]-2-propyl-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone.

Molecular Properties

• Compound Name: [3-[4-[2-(2-methoxyethoxy)phenyl]piperazine-1-carbonyl]-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-2-prop-2-enylpiperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;[(2R,3S)-3-[3-(3-methylthiophen-2-yl)pyrrolidine-1-carbonyl]-2-propyl-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;[(2R,3S)-3-[3-(4-methylthiophen-3-yl)pyrrolidine-1-carbonyl]-2-propyl-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone
• PubChem CID: 158201339
• Molecular Formula: C98H104F18N12O11S2
• Molecular Weight: 2032.08 g/mol
• Exact Mass: 2030.71
• IUPAC Name: [3-[4-[2-(2-methoxyethoxy)phenyl]piperazine-1-carbonyl]-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-2-prop-2-enylpiperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;[(2R,3S)-3-[3-(3-methylthiophen-2-yl)pyrrolidine-1-carbonyl]-2-propyl-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;[(2R,3S)-3-[3-(4-methylthiophen-3-yl)pyrrolidine-1-carbonyl]-2-propyl-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone
• SMILES: C=CCC1N(C(=O)c2cnccc2C(F)(F)F)CCCC1(Oc1cc(C(F)(F)F)n(C)n1)C(=O)N1CCN(c2ccccc2OCCOC)CC1.CCC[C@H]1N(C(=O)c2cnccc2C(F)(F)F)CCC[C@@]1(Oc1ccc(C(F)(F)F)cc1)C(=O)N1CCC(c2cscc2C)C1.CCC[C@H]1N(C(=O)c2cnccc2C(F)(F)F)CCC[C@@]1(Oc1ccc(C(F)(F)F)cc1)C(=O)N1CCC(c2sccc2C)C1
• InChI: InChI=1S/C34H38F6N6O5.2C32H33F6N3O3S/c1-4-8-27-32(51-29-21-28(34(38,39)40)43(2)42-29,12-7-14-46(27)30(47)23-22-41-13-11-24(23)33(35,36)37)31(48)45-17-15-44(16-18-45)25-9-5-6-10-26(25)50-20-19-49-3;1-3-5-26-30(44-23-8-6-22(7-9-23)31(33,34)35,29(43)40-16-11-21(19-40)27-20(2)12-17-45-27)13-4-15-41(26)28(42)24-18-39-14-10-25(24)32(36,37)38;1-3-5-27-30(44-23-8-6-22(7-9-23)31(33,34)35,29(43)40-15-11-21(17-40)25-19-45-18-20(25)2)12-4-14-41(27)28(42)24-16-39-13-10-26(24)32(36,37)38/h4-6,9-11,13,21-22,27H,1,7-8,12,14-20H2,2-3H3;6-10,12,14,17-18,21,26H,3-5,11,13,15-16,19H2,1-2H3;6-10,13,16,18-19,21,27H,3-5,11-12,14-15,17H2,1-2H3/t;21?,26-,30+;21?,27-,30+/m.11/s1
• InChIKey: GAYWPAVYXVCTHQ-VUWMOXRSSA-N
• XLogP: 20.68
• TPSA: 227.74 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 25
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2032.08
LogP ≤ 5	20.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [3-[4-[2-(2-methoxyethoxy)phenyl]piperazine-1-carbonyl]-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-2-prop-2-enylpiperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;[(2R,3S)-3-[3-(3-methylthiophen-2-yl)pyrrolidine-1-carbonyl]-2-propyl-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;[(2R,3S)-3-[3-(4-methylthiophen-3-yl)pyrrolidine-1-carbonyl]-2-propyl-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone?

The IUPAC name of [3-[4-[2-(2-methoxyethoxy)phenyl]piperazine-1-carbonyl]-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-2-prop-2-enylpiperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;[(2R,3S)-3-[3-(3-methylthiophen-2-yl)pyrrolidine-1-carbonyl]-2-propyl-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;[(2R,3S)-3-[3-(4-methylthiophen-3-yl)pyrrolidine-1-carbonyl]-2-propyl-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone (CID 158201339) is [3-[4-[2-(2-methoxyethoxy)phenyl]piperazine-1-carbonyl]-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-2-prop-2-enylpiperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;[(2R,3S)-3-[3-(3-methylthiophen-2-yl)pyrrolidine-1-carbonyl]-2-propyl-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;[(2R,3S)-3-[3-(4-methylthiophen-3-yl)pyrrolidine-1-carbonyl]-2-propyl-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone.

What is the SMILES notation for [3-[4-[2-(2-methoxyethoxy)phenyl]piperazine-1-carbonyl]-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-2-prop-2-enylpiperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;[(2R,3S)-3-[3-(3-methylthiophen-2-yl)pyrrolidine-1-carbonyl]-2-propyl-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;[(2R,3S)-3-[3-(4-methylthiophen-3-yl)pyrrolidine-1-carbonyl]-2-propyl-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone?

The canonical SMILES for [3-[4-[2-(2-methoxyethoxy)phenyl]piperazine-1-carbonyl]-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-2-prop-2-enylpiperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;[(2R,3S)-3-[3-(3-methylthiophen-2-yl)pyrrolidine-1-carbonyl]-2-propyl-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;[(2R,3S)-3-[3-(4-methylthiophen-3-yl)pyrrolidine-1-carbonyl]-2-propyl-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone is C=CCC1N(C(=O)c2cnccc2C(F)(F)F)CCCC1(Oc1cc(C(F)(F)F)n(C)n1)C(=O)N1CCN(c2ccccc2OCCOC)CC1.CCC[C@H]1N(C(=O)c2cnccc2C(F)(F)F)CCC[C@@]1(Oc1ccc(C(F)(F)F)cc1)C(=O)N1CCC(c2cscc2C)C1.CCC[C@H]1N(C(=O)c2cnccc2C(F)(F)F)CCC[C@@]1(Oc1ccc(C(F)(F)F)cc1)C(=O)N1CCC(c2sccc2C)C1.

What is the InChIKey of [3-[4-[2-(2-methoxyethoxy)phenyl]piperazine-1-carbonyl]-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-2-prop-2-enylpiperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;[(2R,3S)-3-[3-(3-methylthiophen-2-yl)pyrrolidine-1-carbonyl]-2-propyl-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;[(2R,3S)-3-[3-(4-methylthiophen-3-yl)pyrrolidine-1-carbonyl]-2-propyl-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone?

The InChIKey is GAYWPAVYXVCTHQ-VUWMOXRSSA-N. The full InChI is InChI=1S/C34H38F6N6O5.2C32H33F6N3O3S/c1-4-8-27-32(51-29-21-28(34(38,39)40)43(2)42-29,12-7-14-46(27)30(47)23-22-41-13-11-24(23)33(35,36)37)31(48)45-17-15-44(16-18-45)25-9-5-6-10-26(25)50-20-19-49-3;1-3-5-26-30(44-23-8-6-22(7-9-23)31(33,34)35,29(43)40-16-11-21(19-40)27-20(2)12-17-45-27)13-4-15-41(26)28(42)24-18-39-14-10-25(24)32(36,37)38;1-3-5-27-30(44-23-8-6-22(7-9-23)31(33,34)35,29(43)40-15-11-21(17-40)25-19-45-18-20(25)2)12-4-14-41(27)28(42)24-16-39-13-10-26(24)32(36,37)38/h4-6,9-11,13,21-22,27H,1,7-8,12,14-20H2,2-3H3;6-10,12,14,17-18,21,26H,3-5,11,13,15-16,19H2,1-2H3;6-10,13,16,18-19,21,27H,3-5,11-12,14-15,17H2,1-2H3/t;21?,26-,30+;21?,27-,30+/m.11/s1.

What are the key properties of [3-[4-[2-(2-methoxyethoxy)phenyl]piperazine-1-carbonyl]-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-2-prop-2-enylpiperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;[(2R,3S)-3-[3-(3-methylthiophen-2-yl)pyrrolidine-1-carbonyl]-2-propyl-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;[(2R,3S)-3-[3-(4-methylthiophen-3-yl)pyrrolidine-1-carbonyl]-2-propyl-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone?

[3-[4-[2-(2-methoxyethoxy)phenyl]piperazine-1-carbonyl]-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-2-prop-2-enylpiperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;[(2R,3S)-3-[3-(3-methylthiophen-2-yl)pyrrolidine-1-carbonyl]-2-propyl-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;[(2R,3S)-3-[3-(4-methylthiophen-3-yl)pyrrolidine-1-carbonyl]-2-propyl-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone has a molecular weight of 2032.08 g/mol, XLogP of 20.68, 25 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[4-[2-(2-methoxyethoxy)phenyl]piperazine-1-carbonyl]-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-2-prop-2-enylpiperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;[(2R,3S)-3-[3-(3-methylthiophen-2-yl)pyrrolidine-1-carbonyl]-2-propyl-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;[(2R,3S)-3-[3-(4-methylthiophen-3-yl)pyrrolidine-1-carbonyl]-2-propyl-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone is sourced from PubChem (CID 158201339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).