1-[4-(2-ethylbutyl)-4-hydroxypiperidin-1-yl]-2-[3-(4-fluorophenoxy)-5-(4-methylsulfonylphenyl)sulfanylphenyl]ethanone;1-[4-(2-ethylbutyl)-4-hydroxypiperidin-1-yl]-2-[3-[(6-fluoro-3-pyridinyl)oxy]-5-(4-methylsulfonylphenoxy)phenyl]ethanone;1-[4-(2-ethylbutyl)-4-hydroxypiperidin-1-yl]-2-[3-(4-methylsulfonylphenoxy)-5-(4-propoxyphenoxy)phenyl]ethanone;2-[3-[(6-fluoro-3-pyridinyl)oxy]-5-(4-methylsulfonylphenoxy)phenyl]-1-[4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]ethanone;1-[4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]-2-[3-(4-methylsulfonylphenoxy)-5-(4-propoxyphenoxy)phenyl]ethanone

C160H194F3N7O31S6 — CID 158632130

About 1-[4-(2-ethylbutyl)-4-hydroxypiperidin-1-yl]-2-[3-(4-fluorophenoxy)-5-(4-methylsulfonylphenyl)sulfanylphenyl]ethanone;1-[4-(2-ethylbutyl)-4-hydroxypiperidin-1-yl]-2-[3-[(6-fluoro-3-pyridinyl)oxy]-5-(4-methylsulfonylphenoxy)phenyl]ethanone;1-[4-(2-ethylbutyl)-4-hydroxypiperidin-1-yl]-2-[3-(4-methylsulfonylphenoxy)-5-(4-propoxyphenoxy)phenyl]ethanone;2-[3-[(6-fluoro-3-pyridinyl)oxy]-5-(4-methylsulfonylphenoxy)phenyl]-1-[4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]ethanone;1-[4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]-2-[3-(4-methylsulfonylphenoxy)-5-(4-propoxyphenoxy)phenyl]ethanone

1-[4-(2-ethylbutyl)-4-hydroxypiperidin-1-yl]-2-[3-(4-fluorophenoxy)-5-(4-methylsulfonylphenyl)sulfanylphenyl]ethanone;1-[4-(2-ethylbutyl)-4-hydroxypiperidin-1-yl]-2-[3-[(6-fluoro-3-pyridinyl)oxy]-5-(4-methylsulfonylphenoxy)phenyl]ethanone;1-[4-(2-ethylbutyl)-4-hydroxypiperidin-1-yl]-2-[3-(4-methylsulfonylphenoxy)-5-(4-propoxyphenoxy)phenyl]ethanone;2-[3-[(6-fluoro-3-pyridinyl)oxy]-5-(4-methylsulfonylphenoxy)phenyl]-1-[4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]ethanone;1-[4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]-2-[3-(4-methylsulfonylphenoxy)-5-(4-propoxyphenoxy)phenyl]ethanone (PubChem CID 158632130) has the molecular formula C160H194F3N7O31S6 and a molecular weight of 2960.73 g/mol. Its IUPAC name is 1-[4-(2-ethylbutyl)-4-hydroxypiperidin-1-yl]-2-[3-(4-fluorophenoxy)-5-(4-methylsulfonylphenyl)sulfanylphenyl]ethanone;1-[4-(2-ethylbutyl)-4-hydroxypiperidin-1-yl]-2-[3-[(6-fluoro-3-pyridinyl)oxy]-5-(4-methylsulfonylphenoxy)phenyl]ethanone;1-[4-(2-ethylbutyl)-4-hydroxypiperidin-1-yl]-2-[3-(4-methylsulfonylphenoxy)-5-(4-propoxyphenoxy)phenyl]ethanone;2-[3-[(6-fluoro-3-pyridinyl)oxy]-5-(4-methylsulfonylphenoxy)phenyl]-1-[4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]ethanone;1-[4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]-2-[3-(4-methylsulfonylphenoxy)-5-(4-propoxyphenoxy)phenyl]ethanone.

Molecular Properties

• Compound Name: 1-[4-(2-ethylbutyl)-4-hydroxypiperidin-1-yl]-2-[3-(4-fluorophenoxy)-5-(4-methylsulfonylphenyl)sulfanylphenyl]ethanone;1-[4-(2-ethylbutyl)-4-hydroxypiperidin-1-yl]-2-[3-[(6-fluoro-3-pyridinyl)oxy]-5-(4-methylsulfonylphenoxy)phenyl]ethanone;1-[4-(2-ethylbutyl)-4-hydroxypiperidin-1-yl]-2-[3-(4-methylsulfonylphenoxy)-5-(4-propoxyphenoxy)phenyl]ethanone;2-[3-[(6-fluoro-3-pyridinyl)oxy]-5-(4-methylsulfonylphenoxy)phenyl]-1-[4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]ethanone;1-[4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]-2-[3-(4-methylsulfonylphenoxy)-5-(4-propoxyphenoxy)phenyl]ethanone
• PubChem CID: 158632130
• Molecular Formula: C160H194F3N7O31S6
• Molecular Weight: 2960.73 g/mol
• Exact Mass: 2958.21
• IUPAC Name: 1-[4-(2-ethylbutyl)-4-hydroxypiperidin-1-yl]-2-[3-(4-fluorophenoxy)-5-(4-methylsulfonylphenyl)sulfanylphenyl]ethanone;1-[4-(2-ethylbutyl)-4-hydroxypiperidin-1-yl]-2-[3-[(6-fluoro-3-pyridinyl)oxy]-5-(4-methylsulfonylphenoxy)phenyl]ethanone;1-[4-(2-ethylbutyl)-4-hydroxypiperidin-1-yl]-2-[3-(4-methylsulfonylphenoxy)-5-(4-propoxyphenoxy)phenyl]ethanone;2-[3-[(6-fluoro-3-pyridinyl)oxy]-5-(4-methylsulfonylphenoxy)phenyl]-1-[4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]ethanone;1-[4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]-2-[3-(4-methylsulfonylphenoxy)-5-(4-propoxyphenoxy)phenyl]ethanone
• SMILES: CC(C)CC1(O)CCN(C(=O)Cc2cc(Oc3ccc(S(C)(=O)=O)cc3)cc(Oc3ccc(F)nc3)c2)CC1.CCC(CC)CC1(O)CCN(C(=O)Cc2cc(Oc3ccc(F)cc3)cc(Sc3ccc(S(C)(=O)=O)cc3)c2)CC1.CCC(CC)CC1(O)CCN(C(=O)Cc2cc(Oc3ccc(S(C)(=O)=O)cc3)cc(Oc3ccc(F)nc3)c2)CC1.CCCOc1ccc(Oc2cc(CC(=O)N3CCC(O)(CC(C)C)CC3)cc(Oc3ccc(S(C)(=O)=O)cc3)c2)cc1.CCCOc1ccc(Oc2cc(CC(=O)N3CCC(O)(CC(CC)CC)CC3)cc(Oc3ccc(S(C)(=O)=O)cc3)c2)cc1
• InChI: InChI=1S/C35H45NO7S.C33H41NO7S.C32H38FNO5S2.C31H37FN2O6S.C29H33FN2O6S/c1-5-20-41-28-8-10-29(11-9-28)42-31-21-27(22-32(24-31)43-30-12-14-33(15-13-30)44(4,39)40)23-34(37)36-18-16-35(38,17-19-36)25-26(6-2)7-3;1-5-18-39-26-6-8-27(9-7-26)40-29-19-25(21-32(35)34-16-14-33(36,15-17-34)23-24(2)3)20-30(22-29)41-28-10-12-31(13-11-28)42(4,37)38;1-4-23(5-2)22-32(36)14-16-34(17-15-32)31(35)20-24-18-27(39-26-8-6-25(33)7-9-26)21-29(19-24)40-28-10-12-30(13-11-28)41(3,37)38;1-4-22(5-2)20-31(36)12-14-34(15-13-31)30(35)18-23-16-26(39-24-6-9-28(10-7-24)41(3,37)38)19-27(17-23)40-25-8-11-29(32)33-21-25;1-20(2)18-29(34)10-12-32(13-11-29)28(33)16-21-14-24(37-22-4-7-26(8-5-22)39(3,35)36)17-25(15-21)38-23-6-9-27(30)31-19-23/h8-15,21-22,24,26,38H,5-7,16-20,23,25H2,1-4H3;6-13,19-20,22,24,36H,5,14-18,21,23H2,1-4H3;6-13,18-19,21,23,36H,4-5,14-17,20,22H2,1-3H3;6-11,16-17,19,21-22,36H,4-5,12-15,18,20H2,1-3H3;4-9,14-15,17,19-20,34H,10-13,16,18H2,1-3H3
• InChIKey: HZICSIMKMOZGRU-UHFFFAOYSA-N
• XLogP: 31.57
• TPSA: 500.71 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 34
• Rotatable Bonds: 57
• Heavy Atoms: 207
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2960.73
LogP ≤ 5	31.57
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-ethylbutyl)-4-hydroxypiperidin-1-yl]-2-[3-(4-fluorophenoxy)-5-(4-methylsulfonylphenyl)sulfanylphenyl]ethanone;1-[4-(2-ethylbutyl)-4-hydroxypiperidin-1-yl]-2-[3-[(6-fluoro-3-pyridinyl)oxy]-5-(4-methylsulfonylphenoxy)phenyl]ethanone;1-[4-(2-ethylbutyl)-4-hydroxypiperidin-1-yl]-2-[3-(4-methylsulfonylphenoxy)-5-(4-propoxyphenoxy)phenyl]ethanone;2-[3-[(6-fluoro-3-pyridinyl)oxy]-5-(4-methylsulfonylphenoxy)phenyl]-1-[4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]ethanone;1-[4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]-2-[3-(4-methylsulfonylphenoxy)-5-(4-propoxyphenoxy)phenyl]ethanone?

The IUPAC name of 1-[4-(2-ethylbutyl)-4-hydroxypiperidin-1-yl]-2-[3-(4-fluorophenoxy)-5-(4-methylsulfonylphenyl)sulfanylphenyl]ethanone;1-[4-(2-ethylbutyl)-4-hydroxypiperidin-1-yl]-2-[3-[(6-fluoro-3-pyridinyl)oxy]-5-(4-methylsulfonylphenoxy)phenyl]ethanone;1-[4-(2-ethylbutyl)-4-hydroxypiperidin-1-yl]-2-[3-(4-methylsulfonylphenoxy)-5-(4-propoxyphenoxy)phenyl]ethanone;2-[3-[(6-fluoro-3-pyridinyl)oxy]-5-(4-methylsulfonylphenoxy)phenyl]-1-[4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]ethanone;1-[4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]-2-[3-(4-methylsulfonylphenoxy)-5-(4-propoxyphenoxy)phenyl]ethanone (CID 158632130) is 1-[4-(2-ethylbutyl)-4-hydroxypiperidin-1-yl]-2-[3-(4-fluorophenoxy)-5-(4-methylsulfonylphenyl)sulfanylphenyl]ethanone;1-[4-(2-ethylbutyl)-4-hydroxypiperidin-1-yl]-2-[3-[(6-fluoro-3-pyridinyl)oxy]-5-(4-methylsulfonylphenoxy)phenyl]ethanone;1-[4-(2-ethylbutyl)-4-hydroxypiperidin-1-yl]-2-[3-(4-methylsulfonylphenoxy)-5-(4-propoxyphenoxy)phenyl]ethanone;2-[3-[(6-fluoro-3-pyridinyl)oxy]-5-(4-methylsulfonylphenoxy)phenyl]-1-[4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]ethanone;1-[4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]-2-[3-(4-methylsulfonylphenoxy)-5-(4-propoxyphenoxy)phenyl]ethanone.

What is the SMILES notation for 1-[4-(2-ethylbutyl)-4-hydroxypiperidin-1-yl]-2-[3-(4-fluorophenoxy)-5-(4-methylsulfonylphenyl)sulfanylphenyl]ethanone;1-[4-(2-ethylbutyl)-4-hydroxypiperidin-1-yl]-2-[3-[(6-fluoro-3-pyridinyl)oxy]-5-(4-methylsulfonylphenoxy)phenyl]ethanone;1-[4-(2-ethylbutyl)-4-hydroxypiperidin-1-yl]-2-[3-(4-methylsulfonylphenoxy)-5-(4-propoxyphenoxy)phenyl]ethanone;2-[3-[(6-fluoro-3-pyridinyl)oxy]-5-(4-methylsulfonylphenoxy)phenyl]-1-[4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]ethanone;1-[4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]-2-[3-(4-methylsulfonylphenoxy)-5-(4-propoxyphenoxy)phenyl]ethanone?

The canonical SMILES for 1-[4-(2-ethylbutyl)-4-hydroxypiperidin-1-yl]-2-[3-(4-fluorophenoxy)-5-(4-methylsulfonylphenyl)sulfanylphenyl]ethanone;1-[4-(2-ethylbutyl)-4-hydroxypiperidin-1-yl]-2-[3-[(6-fluoro-3-pyridinyl)oxy]-5-(4-methylsulfonylphenoxy)phenyl]ethanone;1-[4-(2-ethylbutyl)-4-hydroxypiperidin-1-yl]-2-[3-(4-methylsulfonylphenoxy)-5-(4-propoxyphenoxy)phenyl]ethanone;2-[3-[(6-fluoro-3-pyridinyl)oxy]-5-(4-methylsulfonylphenoxy)phenyl]-1-[4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]ethanone;1-[4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]-2-[3-(4-methylsulfonylphenoxy)-5-(4-propoxyphenoxy)phenyl]ethanone is CC(C)CC1(O)CCN(C(=O)Cc2cc(Oc3ccc(S(C)(=O)=O)cc3)cc(Oc3ccc(F)nc3)c2)CC1.CCC(CC)CC1(O)CCN(C(=O)Cc2cc(Oc3ccc(F)cc3)cc(Sc3ccc(S(C)(=O)=O)cc3)c2)CC1.CCC(CC)CC1(O)CCN(C(=O)Cc2cc(Oc3ccc(S(C)(=O)=O)cc3)cc(Oc3ccc(F)nc3)c2)CC1.CCCOc1ccc(Oc2cc(CC(=O)N3CCC(O)(CC(C)C)CC3)cc(Oc3ccc(S(C)(=O)=O)cc3)c2)cc1.CCCOc1ccc(Oc2cc(CC(=O)N3CCC(O)(CC(CC)CC)CC3)cc(Oc3ccc(S(C)(=O)=O)cc3)c2)cc1.

What is the InChIKey of 1-[4-(2-ethylbutyl)-4-hydroxypiperidin-1-yl]-2-[3-(4-fluorophenoxy)-5-(4-methylsulfonylphenyl)sulfanylphenyl]ethanone;1-[4-(2-ethylbutyl)-4-hydroxypiperidin-1-yl]-2-[3-[(6-fluoro-3-pyridinyl)oxy]-5-(4-methylsulfonylphenoxy)phenyl]ethanone;1-[4-(2-ethylbutyl)-4-hydroxypiperidin-1-yl]-2-[3-(4-methylsulfonylphenoxy)-5-(4-propoxyphenoxy)phenyl]ethanone;2-[3-[(6-fluoro-3-pyridinyl)oxy]-5-(4-methylsulfonylphenoxy)phenyl]-1-[4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]ethanone;1-[4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]-2-[3-(4-methylsulfonylphenoxy)-5-(4-propoxyphenoxy)phenyl]ethanone?

The InChIKey is HZICSIMKMOZGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H45NO7S.C33H41NO7S.C32H38FNO5S2.C31H37FN2O6S.C29H33FN2O6S/c1-5-20-41-28-8-10-29(11-9-28)42-31-21-27(22-32(24-31)43-30-12-14-33(15-13-30)44(4,39)40)23-34(37)36-18-16-35(38,17-19-36)25-26(6-2)7-3;1-5-18-39-26-6-8-27(9-7-26)40-29-19-25(21-32(35)34-16-14-33(36,15-17-34)23-24(2)3)20-30(22-29)41-28-10-12-31(13-11-28)42(4,37)38;1-4-23(5-2)22-32(36)14-16-34(17-15-32)31(35)20-24-18-27(39-26-8-6-25(33)7-9-26)21-29(19-24)40-28-10-12-30(13-11-28)41(3,37)38;1-4-22(5-2)20-31(36)12-14-34(15-13-31)30(35)18-23-16-26(39-24-6-9-28(10-7-24)41(3,37)38)19-27(17-23)40-25-8-11-29(32)33-21-25;1-20(2)18-29(34)10-12-32(13-11-29)28(33)16-21-14-24(37-22-4-7-26(8-5-22)39(3,35)36)17-25(15-21)38-23-6-9-27(30)31-19-23/h8-15,21-22,24,26,38H,5-7,16-20,23,25H2,1-4H3;6-13,19-20,22,24,36H,5,14-18,21,23H2,1-4H3;6-13,18-19,21,23,36H,4-5,14-17,20,22H2,1-3H3;6-11,16-17,19,21-22,36H,4-5,12-15,18,20H2,1-3H3;4-9,14-15,17,19-20,34H,10-13,16,18H2,1-3H3.

What are the key properties of 1-[4-(2-ethylbutyl)-4-hydroxypiperidin-1-yl]-2-[3-(4-fluorophenoxy)-5-(4-methylsulfonylphenyl)sulfanylphenyl]ethanone;1-[4-(2-ethylbutyl)-4-hydroxypiperidin-1-yl]-2-[3-[(6-fluoro-3-pyridinyl)oxy]-5-(4-methylsulfonylphenoxy)phenyl]ethanone;1-[4-(2-ethylbutyl)-4-hydroxypiperidin-1-yl]-2-[3-(4-methylsulfonylphenoxy)-5-(4-propoxyphenoxy)phenyl]ethanone;2-[3-[(6-fluoro-3-pyridinyl)oxy]-5-(4-methylsulfonylphenoxy)phenyl]-1-[4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]ethanone;1-[4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]-2-[3-(4-methylsulfonylphenoxy)-5-(4-propoxyphenoxy)phenyl]ethanone?

1-[4-(2-ethylbutyl)-4-hydroxypiperidin-1-yl]-2-[3-(4-fluorophenoxy)-5-(4-methylsulfonylphenyl)sulfanylphenyl]ethanone;1-[4-(2-ethylbutyl)-4-hydroxypiperidin-1-yl]-2-[3-[(6-fluoro-3-pyridinyl)oxy]-5-(4-methylsulfonylphenoxy)phenyl]ethanone;1-[4-(2-ethylbutyl)-4-hydroxypiperidin-1-yl]-2-[3-(4-methylsulfonylphenoxy)-5-(4-propoxyphenoxy)phenyl]ethanone;2-[3-[(6-fluoro-3-pyridinyl)oxy]-5-(4-methylsulfonylphenoxy)phenyl]-1-[4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]ethanone;1-[4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]-2-[3-(4-methylsulfonylphenoxy)-5-(4-propoxyphenoxy)phenyl]ethanone has a molecular weight of 2960.73 g/mol, XLogP of 31.57, 57 rotatable bonds, 5 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(2-ethylbutyl)-4-hydroxypiperidin-1-yl]-2-[3-(4-fluorophenoxy)-5-(4-methylsulfonylphenyl)sulfanylphenyl]ethanone;1-[4-(2-ethylbutyl)-4-hydroxypiperidin-1-yl]-2-[3-[(6-fluoro-3-pyridinyl)oxy]-5-(4-methylsulfonylphenoxy)phenyl]ethanone;1-[4-(2-ethylbutyl)-4-hydroxypiperidin-1-yl]-2-[3-(4-methylsulfonylphenoxy)-5-(4-propoxyphenoxy)phenyl]ethanone;2-[3-[(6-fluoro-3-pyridinyl)oxy]-5-(4-methylsulfonylphenoxy)phenyl]-1-[4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]ethanone;1-[4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]-2-[3-(4-methylsulfonylphenoxy)-5-(4-propoxyphenoxy)phenyl]ethanone is sourced from PubChem (CID 158632130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).