3-[(3R)-1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide

C26H31FN4O — CID 42195090

About 3-[(3R)-1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide

3-[(3R)-1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide (PubChem CID 42195090) has the molecular formula C26H31FN4O and a molecular weight of 434.56 g/mol. Its IUPAC name is 3-[(3R)-1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide.

Molecular Properties

• Compound Name: 3-[(3R)-1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide
• PubChem CID: 42195090
• Molecular Formula: C26H31FN4O
• Molecular Weight: 434.56 g/mol
• Exact Mass: 434.25
• IUPAC Name: 3-[(3R)-1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide
• SMILES: Cc1cc(C)n(-c2cccc(CN3CCC[C@H](CCC(=O)Nc4ccccc4F)C3)c2)n1
• InChI: InChI=1S/C26H31FN4O/c1-19-15-20(2)31(29-19)23-9-5-7-22(16-23)18-30-14-6-8-21(17-30)12-13-26(32)28-25-11-4-3-10-24(25)27/h3-5,7,9-11,15-16,21H,6,8,12-14,17-18H2,1-2H3,(H,28,32)/t21-/m1/s1
• InChIKey: RMTLLXIHIDOLOB-OAQYLSRUSA-N
• XLogP: 5.26
• TPSA: 50.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	434.56
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide?

The IUPAC name of 3-[(3R)-1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide (CID 42195090) is 3-[(3R)-1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide.

What is the SMILES notation for 3-[(3R)-1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide?

The canonical SMILES for 3-[(3R)-1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide is Cc1cc(C)n(-c2cccc(CN3CCC[C@H](CCC(=O)Nc4ccccc4F)C3)c2)n1.

What is the InChIKey of 3-[(3R)-1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide?

The InChIKey is RMTLLXIHIDOLOB-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H31FN4O/c1-19-15-20(2)31(29-19)23-9-5-7-22(16-23)18-30-14-6-8-21(17-30)12-13-26(32)28-25-11-4-3-10-24(25)27/h3-5,7,9-11,15-16,21H,6,8,12-14,17-18H2,1-2H3,(H,28,32)/t21-/m1/s1.

What are the key properties of 3-[(3R)-1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide?

3-[(3R)-1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide has a molecular weight of 434.56 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(3R)-1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide is sourced from PubChem (CID 42195090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).