1H-benzimidazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;imidazo[1,2-a]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-indol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]benzamide;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]phenyl]ethanone;1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]propane-1,2-dione

C117H110F18N12O9 — CID 158400376

About 1H-benzimidazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;imidazo[1,2-a]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-indol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]benzamide;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]phenyl]ethanone;1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]propane-1,2-dione

1H-benzimidazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;imidazo[1,2-a]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-indol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]benzamide;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]phenyl]ethanone;1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]propane-1,2-dione (PubChem CID 158400376) has the molecular formula C117H110F18N12O9 and a molecular weight of 2170.21 g/mol. Its IUPAC name is 1H-benzimidazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;imidazo[1,2-a]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-indol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]benzamide;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]phenyl]ethanone;1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]propane-1,2-dione.

Molecular Properties

• Compound Name: 1H-benzimidazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;imidazo[1,2-a]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-indol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]benzamide;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]phenyl]ethanone;1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]propane-1,2-dione
• PubChem CID: 158400376
• Molecular Formula: C117H110F18N12O9
• Molecular Weight: 2170.21 g/mol
• Exact Mass: 2168.82
• IUPAC Name: 1H-benzimidazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;imidazo[1,2-a]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-indol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]benzamide;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]phenyl]ethanone;1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]propane-1,2-dione
• SMILES: CC(=O)C(=O)N1CCC(c2ccccc2C(F)(F)F)CC1.CC(=O)c1cccc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)c1.NC(=O)c1ccc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)cc1.O=C(c1cc2ccccc2[nH]1)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(c1cn2ccccc2n1)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(c1nc2ccccc2[nH]1)N1CCC(c2ccccc2C(F)(F)F)CC1
• InChI: InChI=1S/C21H19F3N2O.C21H20F3NO2.2C20H18F3N3O.C20H19F3N2O2.C15H16F3NO2/c22-21(23,24)17-7-3-2-6-16(17)14-9-11-26(12-10-14)20(27)19-13-15-5-1-4-8-18(15)25-19;1-14(26)16-5-4-6-17(13-16)20(27)25-11-9-15(10-12-25)18-7-2-3-8-19(18)21(22,23)24;21-20(22,23)16-6-2-1-5-15(16)14-8-11-25(12-9-14)19(27)17-13-26-10-4-3-7-18(26)24-17;21-20(22,23)15-6-2-1-5-14(15)13-9-11-26(12-10-13)19(27)18-24-16-7-3-4-8-17(16)25-18;21-20(22,23)17-4-2-1-3-16(17)13-9-11-25(12-10-13)19(27)15-7-5-14(6-8-15)18(24)26;1-10(20)14(21)19-8-6-11(7-9-19)12-4-2-3-5-13(12)15(16,17)18/h1-8,13-14,25H,9-12H2;2-8,13,15H,9-12H2,1H3;1-7,10,13-14H,8-9,11-12H2;1-8,13H,9-12H2,(H,24,25);1-8,13H,9-12H2,(H2,24,26);2-5,11H,6-9H2,1H3
• InChIKey: GYAMERAILLSFJT-UHFFFAOYSA-N
• XLogP: 25.93
• TPSA: 260.86 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 14
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2170.21
LogP ≤ 5	25.93
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;imidazo[1,2-a]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-indol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]benzamide;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]phenyl]ethanone;1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]propane-1,2-dione?

The IUPAC name of 1H-benzimidazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;imidazo[1,2-a]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-indol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]benzamide;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]phenyl]ethanone;1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]propane-1,2-dione (CID 158400376) is 1H-benzimidazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;imidazo[1,2-a]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-indol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]benzamide;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]phenyl]ethanone;1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]propane-1,2-dione.

What is the SMILES notation for 1H-benzimidazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;imidazo[1,2-a]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-indol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]benzamide;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]phenyl]ethanone;1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]propane-1,2-dione?

The canonical SMILES for 1H-benzimidazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;imidazo[1,2-a]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-indol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]benzamide;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]phenyl]ethanone;1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]propane-1,2-dione is CC(=O)C(=O)N1CCC(c2ccccc2C(F)(F)F)CC1.CC(=O)c1cccc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)c1.NC(=O)c1ccc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)cc1.O=C(c1cc2ccccc2[nH]1)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(c1cn2ccccc2n1)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(c1nc2ccccc2[nH]1)N1CCC(c2ccccc2C(F)(F)F)CC1.

What is the InChIKey of 1H-benzimidazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;imidazo[1,2-a]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-indol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]benzamide;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]phenyl]ethanone;1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]propane-1,2-dione?

The InChIKey is GYAMERAILLSFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N2O.C21H20F3NO2.2C20H18F3N3O.C20H19F3N2O2.C15H16F3NO2/c22-21(23,24)17-7-3-2-6-16(17)14-9-11-26(12-10-14)20(27)19-13-15-5-1-4-8-18(15)25-19;1-14(26)16-5-4-6-17(13-16)20(27)25-11-9-15(10-12-25)18-7-2-3-8-19(18)21(22,23)24;21-20(22,23)16-6-2-1-5-15(16)14-8-11-25(12-9-14)19(27)17-13-26-10-4-3-7-18(26)24-17;21-20(22,23)15-6-2-1-5-14(15)13-9-11-26(12-10-13)19(27)18-24-16-7-3-4-8-17(16)25-18;21-20(22,23)17-4-2-1-3-16(17)13-9-11-25(12-10-13)19(27)15-7-5-14(6-8-15)18(24)26;1-10(20)14(21)19-8-6-11(7-9-19)12-4-2-3-5-13(12)15(16,17)18/h1-8,13-14,25H,9-12H2;2-8,13,15H,9-12H2,1H3;1-7,10,13-14H,8-9,11-12H2;1-8,13H,9-12H2,(H,24,25);1-8,13H,9-12H2,(H2,24,26);2-5,11H,6-9H2,1H3.

What are the key properties of 1H-benzimidazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;imidazo[1,2-a]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-indol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]benzamide;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]phenyl]ethanone;1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]propane-1,2-dione?

1H-benzimidazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;imidazo[1,2-a]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-indol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]benzamide;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]phenyl]ethanone;1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]propane-1,2-dione has a molecular weight of 2170.21 g/mol, XLogP of 25.93, 14 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1H-benzimidazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;imidazo[1,2-a]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-indol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]benzamide;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]phenyl]ethanone;1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]propane-1,2-dione is sourced from PubChem (CID 158400376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).