[(2S,3R)-3-(1,3-benzoxazol-2-yloxy)-2-methylpiperidin-1-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone;[(2S,3R)-3-(1,3-benzoxazol-2-yloxy)-2-methylpiperidin-1-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone;[(2S,3R)-3-[(5-fluoro-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone;[(2S,3R)-3-(5-fluoropyrimidin-2-yl)oxy-2-methylpiperidin-1-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone;[3-fluoro-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone;[3-fluoro-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone

C124H114F14N32O14 — CID 159577497

About [(2S,3R)-3-(1,3-benzoxazol-2-yloxy)-2-methylpiperidin-1-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone;[(2S,3R)-3-(1,3-benzoxazol-2-yloxy)-2-methylpiperidin-1-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone;[(2S,3R)-3-[(5-fluoro-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone;[(2S,3R)-3-(5-fluoropyrimidin-2-yl)oxy-2-methylpiperidin-1-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone;[3-fluoro-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone;[3-fluoro-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone

[(2S,3R)-3-(1,3-benzoxazol-2-yloxy)-2-methylpiperidin-1-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone;[(2S,3R)-3-(1,3-benzoxazol-2-yloxy)-2-methylpiperidin-1-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone;[(2S,3R)-3-[(5-fluoro-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone;[(2S,3R)-3-(5-fluoropyrimidin-2-yl)oxy-2-methylpiperidin-1-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone;[3-fluoro-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone;[3-fluoro-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone (PubChem CID 159577497) has the molecular formula C124H114F14N32O14 and a molecular weight of 2542.46 g/mol. Its IUPAC name is [(2S,3R)-3-(1,3-benzoxazol-2-yloxy)-2-methylpiperidin-1-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone;[(2S,3R)-3-(1,3-benzoxazol-2-yloxy)-2-methylpiperidin-1-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone;[(2S,3R)-3-[(5-fluoro-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone;[(2S,3R)-3-(5-fluoropyrimidin-2-yl)oxy-2-methylpiperidin-1-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone;[3-fluoro-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone;[3-fluoro-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: [(2S,3R)-3-(1,3-benzoxazol-2-yloxy)-2-methylpiperidin-1-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone;[(2S,3R)-3-(1,3-benzoxazol-2-yloxy)-2-methylpiperidin-1-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone;[(2S,3R)-3-[(5-fluoro-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone;[(2S,3R)-3-(5-fluoropyrimidin-2-yl)oxy-2-methylpiperidin-1-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone;[3-fluoro-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone;[3-fluoro-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone
• PubChem CID: 159577497
• Molecular Formula: C124H114F14N32O14
• Molecular Weight: 2542.46 g/mol
• Exact Mass: 2540.90
• IUPAC Name: [(2S,3R)-3-(1,3-benzoxazol-2-yloxy)-2-methylpiperidin-1-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone;[(2S,3R)-3-(1,3-benzoxazol-2-yloxy)-2-methylpiperidin-1-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone;[(2S,3R)-3-[(5-fluoro-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone;[(2S,3R)-3-(5-fluoropyrimidin-2-yl)oxy-2-methylpiperidin-1-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone;[3-fluoro-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone;[3-fluoro-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone
• SMILES: C[C@H]1[C@H](Oc2ccc(C(F)(F)F)cn2)CCCN1C(=O)c1cccc(F)c1-n1nccn1.C[C@H]1[C@H](Oc2ccc(F)cn2)CCCN1C(=O)c1c(F)cccc1-n1nccn1.C[C@H]1[C@H](Oc2cnc(C(F)(F)F)cn2)CCCN1C(=O)c1cccc(F)c1-n1nccn1.C[C@H]1[C@H](Oc2nc3ccccc3o2)CCCN1C(=O)c1c(F)cccc1-n1nccn1.C[C@H]1[C@H](Oc2nc3ccccc3o2)CCCN1C(=O)c1cccc(F)c1-n1nccn1.C[C@H]1[C@H](Oc2ncc(F)cn2)CCCN1C(=O)c1c(F)cccc1-n1nccn1
• InChI: InChI=1S/2C22H20FN5O3.C21H19F4N5O2.C20H18F4N6O2.C20H19F2N5O2.C19H18F2N6O2/c1-14-18(30-22-26-17-8-2-3-9-19(17)31-22)10-5-13-27(14)21(29)15-6-4-7-16(23)20(15)28-24-11-12-25-28;1-14-18(30-22-26-16-7-2-3-9-19(16)31-22)10-5-13-27(14)21(29)20-15(23)6-4-8-17(20)28-24-11-12-25-28;1-13-17(32-18-8-7-14(12-26-18)21(23,24)25)6-3-11-29(13)20(31)15-4-2-5-16(22)19(15)30-27-9-10-28-30;1-12-15(32-17-11-25-16(10-26-17)20(22,23)24)6-3-9-29(12)19(31)13-4-2-5-14(21)18(13)30-27-7-8-28-30;1-13-17(29-18-8-7-14(21)12-23-18)6-3-11-26(13)20(28)19-15(22)4-2-5-16(19)27-24-9-10-25-27;1-12-16(29-19-22-10-13(20)11-23-19)6-3-9-26(12)18(28)17-14(21)4-2-5-15(17)27-24-7-8-25-27/h2*2-4,6-9,11-12,14,18H,5,10,13H2,1H3;2,4-5,7-10,12-13,17H,3,6,11H2,1H3;2,4-5,7-8,10-12,15H,3,6,9H2,1H3;2,4-5,7-10,12-13,17H,3,6,11H2,1H3;2,4-5,7-8,10-12,16H,3,6,9H2,1H3/t2*14-,18+;13-,17+;12-,15+;13-,17+;12-,16+/m000000/s1
• InChIKey: MIPAAWDMALTVCH-WWRSZOPJSA-N
• XLogP: 19.84
• TPSA: 490.90 Ų
• H-Bond Acceptors: 40
• Rotatable Bonds: 24
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2542.46
LogP ≤ 5	19.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-3-(1,3-benzoxazol-2-yloxy)-2-methylpiperidin-1-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone;[(2S,3R)-3-(1,3-benzoxazol-2-yloxy)-2-methylpiperidin-1-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone;[(2S,3R)-3-[(5-fluoro-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone;[(2S,3R)-3-(5-fluoropyrimidin-2-yl)oxy-2-methylpiperidin-1-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone;[3-fluoro-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone;[3-fluoro-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone?

The IUPAC name of [(2S,3R)-3-(1,3-benzoxazol-2-yloxy)-2-methylpiperidin-1-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone;[(2S,3R)-3-(1,3-benzoxazol-2-yloxy)-2-methylpiperidin-1-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone;[(2S,3R)-3-[(5-fluoro-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone;[(2S,3R)-3-(5-fluoropyrimidin-2-yl)oxy-2-methylpiperidin-1-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone;[3-fluoro-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone;[3-fluoro-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone (CID 159577497) is [(2S,3R)-3-(1,3-benzoxazol-2-yloxy)-2-methylpiperidin-1-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone;[(2S,3R)-3-(1,3-benzoxazol-2-yloxy)-2-methylpiperidin-1-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone;[(2S,3R)-3-[(5-fluoro-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone;[(2S,3R)-3-(5-fluoropyrimidin-2-yl)oxy-2-methylpiperidin-1-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone;[3-fluoro-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone;[3-fluoro-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone.

What is the SMILES notation for [(2S,3R)-3-(1,3-benzoxazol-2-yloxy)-2-methylpiperidin-1-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone;[(2S,3R)-3-(1,3-benzoxazol-2-yloxy)-2-methylpiperidin-1-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone;[(2S,3R)-3-[(5-fluoro-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone;[(2S,3R)-3-(5-fluoropyrimidin-2-yl)oxy-2-methylpiperidin-1-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone;[3-fluoro-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone;[3-fluoro-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone?

The canonical SMILES for [(2S,3R)-3-(1,3-benzoxazol-2-yloxy)-2-methylpiperidin-1-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone;[(2S,3R)-3-(1,3-benzoxazol-2-yloxy)-2-methylpiperidin-1-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone;[(2S,3R)-3-[(5-fluoro-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone;[(2S,3R)-3-(5-fluoropyrimidin-2-yl)oxy-2-methylpiperidin-1-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone;[3-fluoro-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone;[3-fluoro-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone is C[C@H]1[C@H](Oc2ccc(C(F)(F)F)cn2)CCCN1C(=O)c1cccc(F)c1-n1nccn1.C[C@H]1[C@H](Oc2ccc(F)cn2)CCCN1C(=O)c1c(F)cccc1-n1nccn1.C[C@H]1[C@H](Oc2cnc(C(F)(F)F)cn2)CCCN1C(=O)c1cccc(F)c1-n1nccn1.C[C@H]1[C@H](Oc2nc3ccccc3o2)CCCN1C(=O)c1c(F)cccc1-n1nccn1.C[C@H]1[C@H](Oc2nc3ccccc3o2)CCCN1C(=O)c1cccc(F)c1-n1nccn1.C[C@H]1[C@H](Oc2ncc(F)cn2)CCCN1C(=O)c1c(F)cccc1-n1nccn1.

What is the InChIKey of [(2S,3R)-3-(1,3-benzoxazol-2-yloxy)-2-methylpiperidin-1-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone;[(2S,3R)-3-(1,3-benzoxazol-2-yloxy)-2-methylpiperidin-1-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone;[(2S,3R)-3-[(5-fluoro-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone;[(2S,3R)-3-(5-fluoropyrimidin-2-yl)oxy-2-methylpiperidin-1-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone;[3-fluoro-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone;[3-fluoro-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone?

The InChIKey is MIPAAWDMALTVCH-WWRSZOPJSA-N. The full InChI is InChI=1S/2C22H20FN5O3.C21H19F4N5O2.C20H18F4N6O2.C20H19F2N5O2.C19H18F2N6O2/c1-14-18(30-22-26-17-8-2-3-9-19(17)31-22)10-5-13-27(14)21(29)15-6-4-7-16(23)20(15)28-24-11-12-25-28;1-14-18(30-22-26-16-7-2-3-9-19(16)31-22)10-5-13-27(14)21(29)20-15(23)6-4-8-17(20)28-24-11-12-25-28;1-13-17(32-18-8-7-14(12-26-18)21(23,24)25)6-3-11-29(13)20(31)15-4-2-5-16(22)19(15)30-27-9-10-28-30;1-12-15(32-17-11-25-16(10-26-17)20(22,23)24)6-3-9-29(12)19(31)13-4-2-5-14(21)18(13)30-27-7-8-28-30;1-13-17(29-18-8-7-14(21)12-23-18)6-3-11-26(13)20(28)19-15(22)4-2-5-16(19)27-24-9-10-25-27;1-12-16(29-19-22-10-13(20)11-23-19)6-3-9-26(12)18(28)17-14(21)4-2-5-15(17)27-24-7-8-25-27/h2*2-4,6-9,11-12,14,18H,5,10,13H2,1H3;2,4-5,7-10,12-13,17H,3,6,11H2,1H3;2,4-5,7-8,10-12,15H,3,6,9H2,1H3;2,4-5,7-10,12-13,17H,3,6,11H2,1H3;2,4-5,7-8,10-12,16H,3,6,9H2,1H3/t2*14-,18+;13-,17+;12-,15+;13-,17+;12-,16+/m000000/s1.

What are the key properties of [(2S,3R)-3-(1,3-benzoxazol-2-yloxy)-2-methylpiperidin-1-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone;[(2S,3R)-3-(1,3-benzoxazol-2-yloxy)-2-methylpiperidin-1-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone;[(2S,3R)-3-[(5-fluoro-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone;[(2S,3R)-3-(5-fluoropyrimidin-2-yl)oxy-2-methylpiperidin-1-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone;[3-fluoro-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone;[3-fluoro-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone?

[(2S,3R)-3-(1,3-benzoxazol-2-yloxy)-2-methylpiperidin-1-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone;[(2S,3R)-3-(1,3-benzoxazol-2-yloxy)-2-methylpiperidin-1-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone;[(2S,3R)-3-[(5-fluoro-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone;[(2S,3R)-3-(5-fluoropyrimidin-2-yl)oxy-2-methylpiperidin-1-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone;[3-fluoro-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone;[3-fluoro-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone has a molecular weight of 2542.46 g/mol, XLogP of 19.84, 24 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S,3R)-3-(1,3-benzoxazol-2-yloxy)-2-methylpiperidin-1-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone;[(2S,3R)-3-(1,3-benzoxazol-2-yloxy)-2-methylpiperidin-1-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone;[(2S,3R)-3-[(5-fluoro-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone;[(2S,3R)-3-(5-fluoropyrimidin-2-yl)oxy-2-methylpiperidin-1-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone;[3-fluoro-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone;[3-fluoro-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone is sourced from PubChem (CID 159577497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).