N-[5-[6-[2-[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]acetyl]-3H-isoindol-1-yl]-2-hydroxyphenyl]acetamide;2-[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;N-[5-[6-[2-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]acetyl]-3H-isoindol-1-yl]-2-hydroxyphenyl]acetamide;2-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;N-[5-[6-[2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]acetyl]-3H-isoindol-1-yl]-2-hydroxyphenyl]acetamide

C148H148F7N15O13 — CID 159949109

About N-[5-[6-[2-[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]acetyl]-3H-isoindol-1-yl]-2-hydroxyphenyl]acetamide;2-[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;N-[5-[6-[2-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]acetyl]-3H-isoindol-1-yl]-2-hydroxyphenyl]acetamide;2-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;N-[5-[6-[2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]acetyl]-3H-isoindol-1-yl]-2-hydroxyphenyl]acetamide

N-[5-[6-[2-[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]acetyl]-3H-isoindol-1-yl]-2-hydroxyphenyl]acetamide;2-[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;N-[5-[6-[2-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]acetyl]-3H-isoindol-1-yl]-2-hydroxyphenyl]acetamide;2-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;N-[5-[6-[2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]acetyl]-3H-isoindol-1-yl]-2-hydroxyphenyl]acetamide (PubChem CID 159949109) has the molecular formula C148H148F7N15O13 and a molecular weight of 2477.89 g/mol. Its IUPAC name is N-[5-[6-[2-[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]acetyl]-3H-isoindol-1-yl]-2-hydroxyphenyl]acetamide;2-[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;N-[5-[6-[2-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]acetyl]-3H-isoindol-1-yl]-2-hydroxyphenyl]acetamide;2-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;N-[5-[6-[2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]acetyl]-3H-isoindol-1-yl]-2-hydroxyphenyl]acetamide.

Molecular Properties

• Compound Name: N-[5-[6-[2-[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]acetyl]-3H-isoindol-1-yl]-2-hydroxyphenyl]acetamide;2-[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;N-[5-[6-[2-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]acetyl]-3H-isoindol-1-yl]-2-hydroxyphenyl]acetamide;2-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;N-[5-[6-[2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]acetyl]-3H-isoindol-1-yl]-2-hydroxyphenyl]acetamide
• PubChem CID: 159949109
• Molecular Formula: C148H148F7N15O13
• Molecular Weight: 2477.89 g/mol
• Exact Mass: 2476.13
• IUPAC Name: N-[5-[6-[2-[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]acetyl]-3H-isoindol-1-yl]-2-hydroxyphenyl]acetamide;2-[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;N-[5-[6-[2-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]acetyl]-3H-isoindol-1-yl]-2-hydroxyphenyl]acetamide;2-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;N-[5-[6-[2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]acetyl]-3H-isoindol-1-yl]-2-hydroxyphenyl]acetamide
• SMILES: CC(=O)Nc1cc(C2=NCc3ccc(C(=O)C[C@@H]4CCCN(Cc5c(F)cccc5F)C4)cc32)ccc1O.CC(=O)Nc1cc(C2=NCc3ccc(C(=O)C[C@@H]4CCCN(Cc5ccccc5F)C4)cc32)ccc1O.COc1cccc(F)c1CN1CCC[C@@H](CC(=O)c2ccc3c(c2)C(c2ccc(O)c(NC(C)=O)c2)=NC3)C1.COc1cccc(F)c1CN1CCC[C@@H](CC(=O)c2ccc3c(c2)C(c2ccnc(C)c2)=NC3)C1.Cc1cc(C2=NCc3ccc(C(=O)C[C@@H]4CCCN(Cc5c(F)cccc5F)C4)cc32)ccn1
• InChI: InChI=1S/C31H32FN3O4.C30H29F2N3O3.C30H30FN3O3.C29H30FN3O2.C28H27F2N3O/c1-19(36)34-27-15-22(10-11-28(27)37)31-24-14-21(8-9-23(24)16-33-31)29(38)13-20-5-4-12-35(17-20)18-25-26(32)6-3-7-30(25)39-2;1-18(36)34-27-14-21(9-10-28(27)37)30-23-13-20(7-8-22(23)15-33-30)29(38)12-19-4-3-11-35(16-19)17-24-25(31)5-2-6-26(24)32;1-19(35)33-27-15-22(10-11-28(27)36)30-25-14-21(8-9-23(25)16-32-30)29(37)13-20-5-4-12-34(17-20)18-24-6-2-3-7-26(24)31;1-19-13-22(10-11-31-19)29-24-15-21(8-9-23(24)16-32-29)27(34)14-20-5-4-12-33(17-20)18-25-26(30)6-3-7-28(25)35-2;1-18-12-21(9-10-31-18)28-23-14-20(7-8-22(23)15-32-28)27(34)13-19-4-3-11-33(16-19)17-24-25(29)5-2-6-26(24)30/h3,6-11,14-15,20,37H,4-5,12-13,16-18H2,1-2H3,(H,34,36);2,5-10,13-14,19,37H,3-4,11-12,15-17H2,1H3,(H,34,36);2-3,6-11,14-15,20,36H,4-5,12-13,16-18H2,1H3,(H,33,35);3,6-11,13,15,20H,4-5,12,14,16-18H2,1-2H3;2,5-10,12,14,19H,3-4,11,13,15-17H2,1H3/t20-;19-;2*20-;19-/m00000/s1
• InChIKey: OBWJPYGEFFHTCM-CFNLRAGGSA-N
• XLogP: 27.00
• TPSA: 355.58 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 25
• Rotatable Bonds: 35
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2477.89
LogP ≤ 5	27.00
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[5-[6-[2-[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]acetyl]-3H-isoindol-1-yl]-2-hydroxyphenyl]acetamide;2-[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;N-[5-[6-[2-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]acetyl]-3H-isoindol-1-yl]-2-hydroxyphenyl]acetamide;2-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;N-[5-[6-[2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]acetyl]-3H-isoindol-1-yl]-2-hydroxyphenyl]acetamide?

The IUPAC name of N-[5-[6-[2-[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]acetyl]-3H-isoindol-1-yl]-2-hydroxyphenyl]acetamide;2-[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;N-[5-[6-[2-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]acetyl]-3H-isoindol-1-yl]-2-hydroxyphenyl]acetamide;2-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;N-[5-[6-[2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]acetyl]-3H-isoindol-1-yl]-2-hydroxyphenyl]acetamide (CID 159949109) is N-[5-[6-[2-[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]acetyl]-3H-isoindol-1-yl]-2-hydroxyphenyl]acetamide;2-[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;N-[5-[6-[2-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]acetyl]-3H-isoindol-1-yl]-2-hydroxyphenyl]acetamide;2-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;N-[5-[6-[2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]acetyl]-3H-isoindol-1-yl]-2-hydroxyphenyl]acetamide.

What is the SMILES notation for N-[5-[6-[2-[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]acetyl]-3H-isoindol-1-yl]-2-hydroxyphenyl]acetamide;2-[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;N-[5-[6-[2-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]acetyl]-3H-isoindol-1-yl]-2-hydroxyphenyl]acetamide;2-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;N-[5-[6-[2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]acetyl]-3H-isoindol-1-yl]-2-hydroxyphenyl]acetamide?

The canonical SMILES for N-[5-[6-[2-[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]acetyl]-3H-isoindol-1-yl]-2-hydroxyphenyl]acetamide;2-[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;N-[5-[6-[2-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]acetyl]-3H-isoindol-1-yl]-2-hydroxyphenyl]acetamide;2-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;N-[5-[6-[2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]acetyl]-3H-isoindol-1-yl]-2-hydroxyphenyl]acetamide is CC(=O)Nc1cc(C2=NCc3ccc(C(=O)C[C@@H]4CCCN(Cc5c(F)cccc5F)C4)cc32)ccc1O.CC(=O)Nc1cc(C2=NCc3ccc(C(=O)C[C@@H]4CCCN(Cc5ccccc5F)C4)cc32)ccc1O.COc1cccc(F)c1CN1CCC[C@@H](CC(=O)c2ccc3c(c2)C(c2ccc(O)c(NC(C)=O)c2)=NC3)C1.COc1cccc(F)c1CN1CCC[C@@H](CC(=O)c2ccc3c(c2)C(c2ccnc(C)c2)=NC3)C1.Cc1cc(C2=NCc3ccc(C(=O)C[C@@H]4CCCN(Cc5c(F)cccc5F)C4)cc32)ccn1.

What is the InChIKey of N-[5-[6-[2-[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]acetyl]-3H-isoindol-1-yl]-2-hydroxyphenyl]acetamide;2-[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;N-[5-[6-[2-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]acetyl]-3H-isoindol-1-yl]-2-hydroxyphenyl]acetamide;2-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;N-[5-[6-[2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]acetyl]-3H-isoindol-1-yl]-2-hydroxyphenyl]acetamide?

The InChIKey is OBWJPYGEFFHTCM-CFNLRAGGSA-N. The full InChI is InChI=1S/C31H32FN3O4.C30H29F2N3O3.C30H30FN3O3.C29H30FN3O2.C28H27F2N3O/c1-19(36)34-27-15-22(10-11-28(27)37)31-24-14-21(8-9-23(24)16-33-31)29(38)13-20-5-4-12-35(17-20)18-25-26(32)6-3-7-30(25)39-2;1-18(36)34-27-14-21(9-10-28(27)37)30-23-13-20(7-8-22(23)15-33-30)29(38)12-19-4-3-11-35(16-19)17-24-25(31)5-2-6-26(24)32;1-19(35)33-27-15-22(10-11-28(27)36)30-25-14-21(8-9-23(25)16-32-30)29(37)13-20-5-4-12-34(17-20)18-24-6-2-3-7-26(24)31;1-19-13-22(10-11-31-19)29-24-15-21(8-9-23(24)16-32-29)27(34)14-20-5-4-12-33(17-20)18-25-26(30)6-3-7-28(25)35-2;1-18-12-21(9-10-31-18)28-23-14-20(7-8-22(23)15-32-28)27(34)13-19-4-3-11-33(16-19)17-24-25(29)5-2-6-26(24)30/h3,6-11,14-15,20,37H,4-5,12-13,16-18H2,1-2H3,(H,34,36);2,5-10,13-14,19,37H,3-4,11-12,15-17H2,1H3,(H,34,36);2-3,6-11,14-15,20,36H,4-5,12-13,16-18H2,1H3,(H,33,35);3,6-11,13,15,20H,4-5,12,14,16-18H2,1-2H3;2,5-10,12,14,19H,3-4,11,13,15-17H2,1H3/t20-;19-;2*20-;19-/m00000/s1.

What are the key properties of N-[5-[6-[2-[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]acetyl]-3H-isoindol-1-yl]-2-hydroxyphenyl]acetamide;2-[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;N-[5-[6-[2-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]acetyl]-3H-isoindol-1-yl]-2-hydroxyphenyl]acetamide;2-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;N-[5-[6-[2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]acetyl]-3H-isoindol-1-yl]-2-hydroxyphenyl]acetamide?

N-[5-[6-[2-[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]acetyl]-3H-isoindol-1-yl]-2-hydroxyphenyl]acetamide;2-[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;N-[5-[6-[2-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]acetyl]-3H-isoindol-1-yl]-2-hydroxyphenyl]acetamide;2-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;N-[5-[6-[2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]acetyl]-3H-isoindol-1-yl]-2-hydroxyphenyl]acetamide has a molecular weight of 2477.89 g/mol, XLogP of 27.00, 35 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[6-[2-[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]acetyl]-3H-isoindol-1-yl]-2-hydroxyphenyl]acetamide;2-[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;N-[5-[6-[2-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]acetyl]-3H-isoindol-1-yl]-2-hydroxyphenyl]acetamide;2-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;N-[5-[6-[2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]acetyl]-3H-isoindol-1-yl]-2-hydroxyphenyl]acetamide is sourced from PubChem (CID 159949109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).