3-[(3R)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide

C22H31FN4O — CID 42516110

About 3-[(3R)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide

3-[(3R)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide (PubChem CID 42516110) has the molecular formula C22H31FN4O and a molecular weight of 386.52 g/mol. Its IUPAC name is 3-[(3R)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide.

Molecular Properties

• Compound Name: 3-[(3R)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide
• PubChem CID: 42516110
• Molecular Formula: C22H31FN4O
• Molecular Weight: 386.52 g/mol
• Exact Mass: 386.25
• IUPAC Name: 3-[(3R)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide
• SMILES: CCn1nc(C)c(CN2CCC[C@H](CCC(=O)Nc3ccccc3F)C2)c1C
• InChI: InChI=1S/C22H31FN4O/c1-4-27-17(3)19(16(2)25-27)15-26-13-7-8-18(14-26)11-12-22(28)24-21-10-6-5-9-20(21)23/h5-6,9-10,18H,4,7-8,11-15H2,1-3H3,(H,24,28)/t18-/m1/s1
• InChIKey: IMTPPTCQUCWDEK-GOSISDBHSA-N
• XLogP: 4.29
• TPSA: 50.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.52
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide?

The IUPAC name of 3-[(3R)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide (CID 42516110) is 3-[(3R)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide.

What is the SMILES notation for 3-[(3R)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide?

The canonical SMILES for 3-[(3R)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide is CCn1nc(C)c(CN2CCC[C@H](CCC(=O)Nc3ccccc3F)C2)c1C.

What is the InChIKey of 3-[(3R)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide?

The InChIKey is IMTPPTCQUCWDEK-GOSISDBHSA-N. The full InChI is InChI=1S/C22H31FN4O/c1-4-27-17(3)19(16(2)25-27)15-26-13-7-8-18(14-26)11-12-22(28)24-21-10-6-5-9-20(21)23/h5-6,9-10,18H,4,7-8,11-15H2,1-3H3,(H,24,28)/t18-/m1/s1.

What are the key properties of 3-[(3R)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide?

3-[(3R)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide has a molecular weight of 386.52 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(3R)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide is sourced from PubChem (CID 42516110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).