1,2-benzoxazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tetrakis((6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone)

C158H154F24N30O9 — CID 161310103

About 1,2-benzoxazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tetrakis((6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone)

1,2-benzoxazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tetrakis((6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone) (PubChem CID 161310103) has the molecular formula C158H154F24N30O9 and a molecular weight of 3073.12 g/mol. Its IUPAC name is 1,2-benzoxazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tetrakis((6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone).

Molecular Properties

• Compound Name: 1,2-benzoxazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tetrakis((6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone)
• PubChem CID: 161310103
• Molecular Formula: C158H154F24N30O9
• Molecular Weight: 3073.12 g/mol
• Exact Mass: 3071.21
• IUPAC Name: 1,2-benzoxazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tetrakis((6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone)
• SMILES: Cc1ccc2nnc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)n2c1.Cc1ccc2nnc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)n2c1.Cc1ccc2nnc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)n2c1.Cc1ccc2nnc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)n2c1.Cc1ccn2c(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)nnc2c1.O=C(c1nnc2n1CCCC2)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(c1nnc2n1CCCC2)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(c1noc2ccccc12)N1CCC(c2ccccc2C(F)(F)F)CC1
• InChI: InChI=1S/5C20H19F3N4O.C20H17F3N2O2.2C19H21F3N4O/c1-13-6-11-27-17(12-13)24-25-18(27)19(28)26-9-7-14(8-10-26)15-4-2-3-5-16(15)20(21,22)23;4*1-13-6-7-17-24-25-18(27(17)12-13)19(28)26-10-8-14(9-11-26)15-4-2-3-5-16(15)20(21,22)23;21-20(22,23)16-7-3-1-5-14(16)13-9-11-25(12-10-13)19(26)18-15-6-2-4-8-17(15)27-24-18;2*20-19(21,22)15-6-2-1-5-14(15)13-8-11-25(12-9-13)18(27)17-24-23-16-7-3-4-10-26(16)17/h2-6,11-12,14H,7-10H2,1H3;4*2-7,12,14H,8-11H2,1H3;1-8,13H,9-12H2;2*1-2,5-6,13H,3-4,7-12H2
• InChIKey: VITPSFAKTJIDII-UHFFFAOYSA-N
• XLogP: 32.55
• TPSA: 400.88 Ų
• H-Bond Acceptors: 31
• Rotatable Bonds: 16
• Heavy Atoms: 221
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3073.12
LogP ≤ 5	32.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 1,2-benzoxazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tetrakis((6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone)?

The IUPAC name of 1,2-benzoxazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tetrakis((6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone) (CID 161310103) is 1,2-benzoxazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tetrakis((6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone).

What is the SMILES notation for 1,2-benzoxazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tetrakis((6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone)?

The canonical SMILES for 1,2-benzoxazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tetrakis((6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone) is Cc1ccc2nnc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)n2c1.Cc1ccc2nnc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)n2c1.Cc1ccc2nnc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)n2c1.Cc1ccc2nnc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)n2c1.Cc1ccn2c(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)nnc2c1.O=C(c1nnc2n1CCCC2)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(c1nnc2n1CCCC2)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(c1noc2ccccc12)N1CCC(c2ccccc2C(F)(F)F)CC1.

What is the InChIKey of 1,2-benzoxazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tetrakis((6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone)?

The InChIKey is VITPSFAKTJIDII-UHFFFAOYSA-N. The full InChI is InChI=1S/5C20H19F3N4O.C20H17F3N2O2.2C19H21F3N4O/c1-13-6-11-27-17(12-13)24-25-18(27)19(28)26-9-7-14(8-10-26)15-4-2-3-5-16(15)20(21,22)23;4*1-13-6-7-17-24-25-18(27(17)12-13)19(28)26-10-8-14(9-11-26)15-4-2-3-5-16(15)20(21,22)23;21-20(22,23)16-7-3-1-5-14(16)13-9-11-25(12-10-13)19(26)18-15-6-2-4-8-17(15)27-24-18;2*20-19(21,22)15-6-2-1-5-14(15)13-8-11-25(12-9-13)18(27)17-24-23-16-7-3-4-10-26(16)17/h2-6,11-12,14H,7-10H2,1H3;4*2-7,12,14H,8-11H2,1H3;1-8,13H,9-12H2;2*1-2,5-6,13H,3-4,7-12H2.

What are the key properties of 1,2-benzoxazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tetrakis((6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone)?

1,2-benzoxazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tetrakis((6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone) has a molecular weight of 3073.12 g/mol, XLogP of 32.55, 16 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2-benzoxazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tetrakis((6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone) is sourced from PubChem (CID 161310103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).