(4-benzylpiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;tert-butyl 4-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperazine-1-carboxylate;(4-hydroxy-4-phenylpiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-methoxypiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-4-carboxamide;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-phenylpiperidin-1-yl)methanone

C115H120F18N20O11S6 — CID 157057283

IUPAC(4-benzylpiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;tert-butyl 4-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperazine-1-carboxylate;(4-hydroxy-4-phenylpiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-methoxypiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-4-carboxamide;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-phenylpiperidin-1-yl)methanone
SMILESCOC1CCN(C(=O)c2ccc(-c3cc(C(F)(F)F)n(C)n3)s2)CC1.Cn1nc(-c2ccc(C(=O)N3CCC(C(N)=O)CC3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CCC(Cc4ccccc4)CC3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CCC(O)(c4ccccc4)CC3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CCC(c4ccccc4)CC3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)s2)cc1C(F)(F)F
InChIInChI=1S/C22H22F3N3OS.C21H20F3N3O2S.C21H20F3N3OS.C19H23F3N4O3S.C16H17F3N4O2S.C16H18F3N3O2S/c1-27-20(22(23,24)25)14-17(26-27)18-7-8-19(30-18)21(29)28-11-9-16(10-12-28)13-15-5-3-2-4-6-15;1-26-18(21(22,23)24)13-15(25-26)16-7-8-17(30-16)19(28)27-11-9-20(29,10-12-27)14-5-3-2-4-6-14;1-26-19(21(22,23)24)13-16(25-26)17-7-8-18(29-17)20(28)27-11-9-15(10-12-27)14-5-3-2-4-6-14;1-18(2,3)29-17(28)26-9-7-25(8-10-26)16(27)14-6-5-13(30-14)12-11-15(19(20,21)22)24(4)23-12;1-22-13(16(17,18)19)8-10(21-22)11-2-3-12(26-11)15(25)23-6-4-9(5-7-23)14(20)24;1-21-14(16(17,18)19)9-11(20-21)12-3-4-13(25-12)15(23)22-7-5-10(24-2)6-8-22/h2-8,14,16H,9-13H2,1H3;2-8,13,29H,9-12H2,1H3;2-8,13,15H,9-12H2,1H3;5-6,11H,7-10H2,1-4H3;2-3,8-9H,4-7H2,1H3,(H2,20,24);3-4,9-10H,5-8H2,1-2H3
InChIKeyAAXFYOCLANRRLU-UHFFFAOYSA-N
MW2492.72 g/mol
LogP24.52
Rot. Bonds18

About (4-benzylpiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;tert-butyl 4-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperazine-1-carboxylate;(4-hydroxy-4-phenylpiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-methoxypiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-4-carboxamide;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-phenylpiperidin-1-yl)methanone

(4-benzylpiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;tert-butyl 4-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperazine-1-carboxylate;(4-hydroxy-4-phenylpiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-methoxypiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-4-carboxamide;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-phenylpiperidin-1-yl)methanone (PubChem CID 157057283) has the molecular formula C115H120F18N20O11S6 and a molecular weight of 2492.72 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;tert-butyl 4-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperazine-1-carboxylate;(4-hydroxy-4-phenylpiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-methoxypiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-4-carboxamide;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-phenylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;tert-butyl 4-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperazine-1-carboxylate;(4-hydroxy-4-phenylpiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-methoxypiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-4-carboxamide;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-phenylpiperidin-1-yl)methanone
PubChem CID157057283
Molecular FormulaC115H120F18N20O11S6
Molecular Weight2492.72 g/mol
Exact Mass2490.75
IUPAC Name(4-benzylpiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;tert-butyl 4-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperazine-1-carboxylate;(4-hydroxy-4-phenylpiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-methoxypiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-4-carboxamide;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-phenylpiperidin-1-yl)methanone
SMILESCOC1CCN(C(=O)c2ccc(-c3cc(C(F)(F)F)n(C)n3)s2)CC1.Cn1nc(-c2ccc(C(=O)N3CCC(C(N)=O)CC3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CCC(Cc4ccccc4)CC3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CCC(O)(c4ccccc4)CC3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CCC(c4ccccc4)CC3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)s2)cc1C(F)(F)F
InChIInChI=1S/C22H22F3N3OS.C21H20F3N3O2S.C21H20F3N3OS.C19H23F3N4O3S.C16H17F3N4O2S.C16H18F3N3O2S/c1-27-20(22(23,24)25)14-17(26-27)18-7-8-19(30-18)21(29)28-11-9-16(10-12-28)13-15-5-3-2-4-6-15;1-26-18(21(22,23)24)13-15(25-26)16-7-8-17(30-16)19(28)27-11-9-20(29,10-12-27)14-5-3-2-4-6-14;1-26-19(21(22,23)24)13-16(25-26)17-7-8-18(29-17)20(28)27-11-9-15(10-12-27)14-5-3-2-4-6-14;1-18(2,3)29-17(28)26-9-7-25(8-10-26)16(27)14-6-5-13(30-14)12-11-15(19(20,21)22)24(4)23-12;1-22-13(16(17,18)19)8-10(21-22)11-2-3-12(26-11)15(25)23-6-4-9(5-7-23)14(20)24;1-21-14(16(17,18)19)9-11(20-21)12-3-4-13(25-12)15(23)22-7-5-10(24-2)6-8-22/h2-8,14,16H,9-13H2,1H3;2-8,13,29H,9-12H2,1H3;2-8,13,15H,9-12H2,1H3;5-6,11H,7-10H2,1-4H3;2-3,8-9H,4-7H2,1H3,(H2,20,24);3-4,9-10H,5-8H2,1-2H3
InChIKeyAAXFYOCLANRRLU-UHFFFAOYSA-N
XLogP24.52
TPSA330.87 Ų
H-Bond Donors2
H-Bond Acceptors29
Rotatable Bonds18
Heavy Atoms170
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002492.72
LogP ≤ 524.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1029

Analyze (4-benzylpiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;tert-butyl 4-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperazine-1-carboxylate;(4-hydroxy-4-phenylpiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-methoxypiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-4-carboxamide;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-phenylpiperidin-1-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;tert-butyl 4-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperazine-1-carboxylate;(4-hydroxy-4-phenylpiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-methoxypiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-4-carboxamide;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-phenylpiperidin-1-yl)methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;tert-butyl 4-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperazine-1-carboxylate;(4-hydroxy-4-phenylpiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-methoxypiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-4-carboxamide;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-phenylpiperidin-1-yl)methanone (CID 157057283) is (4-benzylpiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;tert-butyl 4-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperazine-1-carboxylate;(4-hydroxy-4-phenylpiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-methoxypiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-4-carboxamide;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-phenylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;tert-butyl 4-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperazine-1-carboxylate;(4-hydroxy-4-phenylpiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-methoxypiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-4-carboxamide;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-phenylpiperidin-1-yl)methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;tert-butyl 4-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperazine-1-carboxylate;(4-hydroxy-4-phenylpiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-methoxypiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-4-carboxamide;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-phenylpiperidin-1-yl)methanone is COC1CCN(C(=O)c2ccc(-c3cc(C(F)(F)F)n(C)n3)s2)CC1.Cn1nc(-c2ccc(C(=O)N3CCC(C(N)=O)CC3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CCC(Cc4ccccc4)CC3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CCC(O)(c4ccccc4)CC3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CCC(c4ccccc4)CC3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)s2)cc1C(F)(F)F.
What is the InChIKey of (4-benzylpiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;tert-butyl 4-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperazine-1-carboxylate;(4-hydroxy-4-phenylpiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-methoxypiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-4-carboxamide;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-phenylpiperidin-1-yl)methanone?
The InChIKey is AAXFYOCLANRRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N3OS.C21H20F3N3O2S.C21H20F3N3OS.C19H23F3N4O3S.C16H17F3N4O2S.C16H18F3N3O2S/c1-27-20(22(23,24)25)14-17(26-27)18-7-8-19(30-18)21(29)28-11-9-16(10-12-28)13-15-5-3-2-4-6-15;1-26-18(21(22,23)24)13-15(25-26)16-7-8-17(30-16)19(28)27-11-9-20(29,10-12-27)14-5-3-2-4-6-14;1-26-19(21(22,23)24)13-16(25-26)17-7-8-18(29-17)20(28)27-11-9-15(10-12-27)14-5-3-2-4-6-14;1-18(2,3)29-17(28)26-9-7-25(8-10-26)16(27)14-6-5-13(30-14)12-11-15(19(20,21)22)24(4)23-12;1-22-13(16(17,18)19)8-10(21-22)11-2-3-12(26-11)15(25)23-6-4-9(5-7-23)14(20)24;1-21-14(16(17,18)19)9-11(20-21)12-3-4-13(25-12)15(23)22-7-5-10(24-2)6-8-22/h2-8,14,16H,9-13H2,1H3;2-8,13,29H,9-12H2,1H3;2-8,13,15H,9-12H2,1H3;5-6,11H,7-10H2,1-4H3;2-3,8-9H,4-7H2,1H3,(H2,20,24);3-4,9-10H,5-8H2,1-2H3.
What are the key properties of (4-benzylpiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;tert-butyl 4-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperazine-1-carboxylate;(4-hydroxy-4-phenylpiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-methoxypiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-4-carboxamide;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-phenylpiperidin-1-yl)methanone?
(4-benzylpiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;tert-butyl 4-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperazine-1-carboxylate;(4-hydroxy-4-phenylpiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-methoxypiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-4-carboxamide;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-phenylpiperidin-1-yl)methanone has a molecular weight of 2492.72 g/mol, XLogP of 24.52, 18 rotatable bonds, 2 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;tert-butyl 4-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperazine-1-carboxylate;(4-hydroxy-4-phenylpiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-methoxypiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-4-carboxamide;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-phenylpiperidin-1-yl)methanone is sourced from PubChem (CID 157057283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).