2-hydroxy-2-(4-methoxyphenyl)-N-[2-(1-methylpiperidin-4-yl)oxy-4-(1H-pyrazol-4-yl)phenyl]acetamide;bis(2,2,2-trifluoroacetic acid)

C28H30F6N4O8 — CID 117077587

About 2-hydroxy-2-(4-methoxyphenyl)-N-[2-(1-methylpiperidin-4-yl)oxy-4-(1H-pyrazol-4-yl)phenyl]acetamide;bis(2,2,2-trifluoroacetic acid)

2-hydroxy-2-(4-methoxyphenyl)-N-[2-(1-methylpiperidin-4-yl)oxy-4-(1H-pyrazol-4-yl)phenyl]acetamide;bis(2,2,2-trifluoroacetic acid) (PubChem CID 117077587) has the molecular formula C28H30F6N4O8 and a molecular weight of 664.56 g/mol. Its IUPAC name is 2-hydroxy-2-(4-methoxyphenyl)-N-[2-(1-methylpiperidin-4-yl)oxy-4-(1H-pyrazol-4-yl)phenyl]acetamide;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: 2-hydroxy-2-(4-methoxyphenyl)-N-[2-(1-methylpiperidin-4-yl)oxy-4-(1H-pyrazol-4-yl)phenyl]acetamide;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 117077587
• Molecular Formula: C28H30F6N4O8
• Molecular Weight: 664.56 g/mol
• Exact Mass: 664.20
• IUPAC Name: 2-hydroxy-2-(4-methoxyphenyl)-N-[2-(1-methylpiperidin-4-yl)oxy-4-(1H-pyrazol-4-yl)phenyl]acetamide;bis(2,2,2-trifluoroacetic acid)
• SMILES: COc1ccc(C(O)C(=O)Nc2ccc(-c3cn[nH]c3)cc2OC2CCN(C)CC2)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C24H28N4O4.2C2HF3O2/c1-28-11-9-20(10-12-28)32-22-13-17(18-14-25-26-15-18)5-8-21(22)27-24(30)23(29)16-3-6-19(31-2)7-4-16;2*3-2(4,5)1(6)7/h3-8,13-15,20,23,29H,9-12H2,1-2H3,(H,25,26)(H,27,30);2*(H,6,7)
• InChIKey: GILIDDCAQAEKBY-UHFFFAOYSA-N
• XLogP: 4.50
• TPSA: 174.31 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	664.56
LogP ≤ 5	4.50
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(4-methoxyphenyl)-N-[2-(1-methylpiperidin-4-yl)oxy-4-(1H-pyrazol-4-yl)phenyl]acetamide;bis(2,2,2-trifluoroacetic acid)?

The IUPAC name of 2-hydroxy-2-(4-methoxyphenyl)-N-[2-(1-methylpiperidin-4-yl)oxy-4-(1H-pyrazol-4-yl)phenyl]acetamide;bis(2,2,2-trifluoroacetic acid) (CID 117077587) is 2-hydroxy-2-(4-methoxyphenyl)-N-[2-(1-methylpiperidin-4-yl)oxy-4-(1H-pyrazol-4-yl)phenyl]acetamide;bis(2,2,2-trifluoroacetic acid).

What is the SMILES notation for 2-hydroxy-2-(4-methoxyphenyl)-N-[2-(1-methylpiperidin-4-yl)oxy-4-(1H-pyrazol-4-yl)phenyl]acetamide;bis(2,2,2-trifluoroacetic acid)?

The canonical SMILES for 2-hydroxy-2-(4-methoxyphenyl)-N-[2-(1-methylpiperidin-4-yl)oxy-4-(1H-pyrazol-4-yl)phenyl]acetamide;bis(2,2,2-trifluoroacetic acid) is COc1ccc(C(O)C(=O)Nc2ccc(-c3cn[nH]c3)cc2OC2CCN(C)CC2)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of 2-hydroxy-2-(4-methoxyphenyl)-N-[2-(1-methylpiperidin-4-yl)oxy-4-(1H-pyrazol-4-yl)phenyl]acetamide;bis(2,2,2-trifluoroacetic acid)?

The InChIKey is GILIDDCAQAEKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4.2C2HF3O2/c1-28-11-9-20(10-12-28)32-22-13-17(18-14-25-26-15-18)5-8-21(22)27-24(30)23(29)16-3-6-19(31-2)7-4-16;2*3-2(4,5)1(6)7/h3-8,13-15,20,23,29H,9-12H2,1-2H3,(H,25,26)(H,27,30);2*(H,6,7).

What are the key properties of 2-hydroxy-2-(4-methoxyphenyl)-N-[2-(1-methylpiperidin-4-yl)oxy-4-(1H-pyrazol-4-yl)phenyl]acetamide;bis(2,2,2-trifluoroacetic acid)?

2-hydroxy-2-(4-methoxyphenyl)-N-[2-(1-methylpiperidin-4-yl)oxy-4-(1H-pyrazol-4-yl)phenyl]acetamide;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 664.56 g/mol, XLogP of 4.50, 7 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-hydroxy-2-(4-methoxyphenyl)-N-[2-(1-methylpiperidin-4-yl)oxy-4-(1H-pyrazol-4-yl)phenyl]acetamide;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 117077587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).