(3-hydroxypiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-(2-methoxyethyl)piperazin-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-3-carboxamide;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-2-carboxylic acid;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone

C99H103F21N22O11S6 — CID 158327839

About (3-hydroxypiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-(2-methoxyethyl)piperazin-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-3-carboxamide;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-2-carboxylic acid;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone

(3-hydroxypiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-(2-methoxyethyl)piperazin-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-3-carboxamide;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-2-carboxylic acid;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 158327839) has the molecular formula C99H103F21N22O11S6 and a molecular weight of 2368.42 g/mol. Its IUPAC name is (3-hydroxypiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-(2-methoxyethyl)piperazin-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-3-carboxamide;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-2-carboxylic acid;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (3-hydroxypiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-(2-methoxyethyl)piperazin-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-3-carboxamide;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-2-carboxylic acid;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone
• PubChem CID: 158327839
• Molecular Formula: C99H103F21N22O11S6
• Molecular Weight: 2368.42 g/mol
• Exact Mass: 2366.62
• IUPAC Name: (3-hydroxypiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-(2-methoxyethyl)piperazin-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-3-carboxamide;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-2-carboxylic acid;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone
• SMILES: COCCN1CCN(C(=O)c2ccc(-c3cc(C(F)(F)F)n(C)n3)s2)CC1.Cn1nc(-c2ccc(C(=O)N3CCC(C(F)(F)F)CC3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CCCC(C(N)=O)C3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CCCC(O)C3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CCCCC3C(=O)O)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CCN(c4ccccn4)CC3)s2)cc1C(F)(F)F
• InChI: InChI=1S/C19H18F3N5OS.C17H21F3N4O2S.C16H15F6N3OS.C16H17F3N4O2S.C16H16F3N3O3S.C15H16F3N3O2S/c1-25-16(19(20,21)22)12-13(24-25)14-5-6-15(29-14)18(28)27-10-8-26(9-11-27)17-4-2-3-7-23-17;1-22-15(17(18,19)20)11-12(21-22)13-3-4-14(27-13)16(25)24-7-5-23(6-8-24)9-10-26-2;1-24-13(16(20,21)22)8-10(23-24)11-2-3-12(27-11)14(26)25-6-4-9(5-7-25)15(17,18)19;1-22-13(16(17,18)19)7-10(21-22)11-4-5-12(26-11)15(25)23-6-2-3-9(8-23)14(20)24;1-21-13(16(17,18)19)8-9(20-21)11-5-6-12(26-11)14(23)22-7-3-2-4-10(22)15(24)25;1-20-13(15(16,17)18)7-10(19-20)11-4-5-12(24-11)14(23)21-6-2-3-9(22)8-21/h2-7,12H,8-11H2,1H3;3-4,11H,5-10H2,1-2H3;2-3,8-9H,4-7H2,1H3;4-5,7,9H,2-3,6,8H2,1H3,(H2,20,24);5-6,8,10H,2-4,7H2,1H3,(H,24,25);4-5,7,9,22H,2-3,6,8H2,1H3
• InChIKey: GPQAHSNMZGSVRD-UHFFFAOYSA-N
• XLogP: 19.19
• TPSA: 358.00 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 31
• Rotatable Bonds: 18
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2368.42
LogP ≤ 5	19.19
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of (3-hydroxypiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-(2-methoxyethyl)piperazin-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-3-carboxamide;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-2-carboxylic acid;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone?

The IUPAC name of (3-hydroxypiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-(2-methoxyethyl)piperazin-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-3-carboxamide;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-2-carboxylic acid;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone (CID 158327839) is (3-hydroxypiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-(2-methoxyethyl)piperazin-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-3-carboxamide;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-2-carboxylic acid;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone.

What is the SMILES notation for (3-hydroxypiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-(2-methoxyethyl)piperazin-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-3-carboxamide;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-2-carboxylic acid;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone?

The canonical SMILES for (3-hydroxypiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-(2-methoxyethyl)piperazin-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-3-carboxamide;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-2-carboxylic acid;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone is COCCN1CCN(C(=O)c2ccc(-c3cc(C(F)(F)F)n(C)n3)s2)CC1.Cn1nc(-c2ccc(C(=O)N3CCC(C(F)(F)F)CC3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CCCC(C(N)=O)C3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CCCC(O)C3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CCCCC3C(=O)O)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CCN(c4ccccn4)CC3)s2)cc1C(F)(F)F.

What is the InChIKey of (3-hydroxypiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-(2-methoxyethyl)piperazin-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-3-carboxamide;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-2-carboxylic acid;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone?

The InChIKey is GPQAHSNMZGSVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5OS.C17H21F3N4O2S.C16H15F6N3OS.C16H17F3N4O2S.C16H16F3N3O3S.C15H16F3N3O2S/c1-25-16(19(20,21)22)12-13(24-25)14-5-6-15(29-14)18(28)27-10-8-26(9-11-27)17-4-2-3-7-23-17;1-22-15(17(18,19)20)11-12(21-22)13-3-4-14(27-13)16(25)24-7-5-23(6-8-24)9-10-26-2;1-24-13(16(20,21)22)8-10(23-24)11-2-3-12(27-11)14(26)25-6-4-9(5-7-25)15(17,18)19;1-22-13(16(17,18)19)7-10(21-22)11-4-5-12(26-11)15(25)23-6-2-3-9(8-23)14(20)24;1-21-13(16(17,18)19)8-9(20-21)11-5-6-12(26-11)14(23)22-7-3-2-4-10(22)15(24)25;1-20-13(15(16,17)18)7-10(19-20)11-4-5-12(24-11)14(23)21-6-2-3-9(22)8-21/h2-7,12H,8-11H2,1H3;3-4,11H,5-10H2,1-2H3;2-3,8-9H,4-7H2,1H3;4-5,7,9H,2-3,6,8H2,1H3,(H2,20,24);5-6,8,10H,2-4,7H2,1H3,(H,24,25);4-5,7,9,22H,2-3,6,8H2,1H3.

What are the key properties of (3-hydroxypiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-(2-methoxyethyl)piperazin-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-3-carboxamide;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-2-carboxylic acid;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone?

(3-hydroxypiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-(2-methoxyethyl)piperazin-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-3-carboxamide;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-2-carboxylic acid;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 2368.42 g/mol, XLogP of 19.19, 18 rotatable bonds, 3 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for (3-hydroxypiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-(2-methoxyethyl)piperazin-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-3-carboxamide;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-2-carboxylic acid;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 158327839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).