3-[6-[1-[(1,4-dimethylpyrazol-5-yl)methyl]piperidin-3-yl]-2-pyridinyl]propanoic acid

C19H26N4O2 — CID 110258280

About 3-[6-[1-[(1,4-dimethylpyrazol-5-yl)methyl]piperidin-3-yl]-2-pyridinyl]propanoic acid

3-[6-[1-[(1,4-dimethylpyrazol-5-yl)methyl]piperidin-3-yl]-2-pyridinyl]propanoic acid (PubChem CID 110258280) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 3-[6-[1-[(1,4-dimethylpyrazol-5-yl)methyl]piperidin-3-yl]-2-pyridinyl]propanoic acid.

Molecular Properties

• Compound Name: 3-[6-[1-[(1,4-dimethylpyrazol-5-yl)methyl]piperidin-3-yl]-2-pyridinyl]propanoic acid
• PubChem CID: 110258280
• Molecular Formula: C19H26N4O2
• Molecular Weight: 342.44 g/mol
• Exact Mass: 342.21
• IUPAC Name: 3-[6-[1-[(1,4-dimethylpyrazol-5-yl)methyl]piperidin-3-yl]-2-pyridinyl]propanoic acid
• SMILES: Cc1cnn(C)c1CN1CCCC(c2cccc(CCC(=O)O)n2)C1
• InChI: InChI=1S/C19H26N4O2/c1-14-11-20-22(2)18(14)13-23-10-4-5-15(12-23)17-7-3-6-16(21-17)8-9-19(24)25/h3,6-7,11,15H,4-5,8-10,12-13H2,1-2H3,(H,24,25)
• InChIKey: OZSIFXIRLNSYKF-UHFFFAOYSA-N
• XLogP: 2.52
• TPSA: 71.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	342.44
LogP ≤ 5	2.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[6-[1-[(1,4-dimethylpyrazol-5-yl)methyl]piperidin-3-yl]-2-pyridinyl]propanoic acid?

The IUPAC name of 3-[6-[1-[(1,4-dimethylpyrazol-5-yl)methyl]piperidin-3-yl]-2-pyridinyl]propanoic acid (CID 110258280) is 3-[6-[1-[(1,4-dimethylpyrazol-5-yl)methyl]piperidin-3-yl]-2-pyridinyl]propanoic acid.

What is the SMILES notation for 3-[6-[1-[(1,4-dimethylpyrazol-5-yl)methyl]piperidin-3-yl]-2-pyridinyl]propanoic acid?

The canonical SMILES for 3-[6-[1-[(1,4-dimethylpyrazol-5-yl)methyl]piperidin-3-yl]-2-pyridinyl]propanoic acid is Cc1cnn(C)c1CN1CCCC(c2cccc(CCC(=O)O)n2)C1.

What is the InChIKey of 3-[6-[1-[(1,4-dimethylpyrazol-5-yl)methyl]piperidin-3-yl]-2-pyridinyl]propanoic acid?

The InChIKey is OZSIFXIRLNSYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-14-11-20-22(2)18(14)13-23-10-4-5-15(12-23)17-7-3-6-16(21-17)8-9-19(24)25/h3,6-7,11,15H,4-5,8-10,12-13H2,1-2H3,(H,24,25).

What are the key properties of 3-[6-[1-[(1,4-dimethylpyrazol-5-yl)methyl]piperidin-3-yl]-2-pyridinyl]propanoic acid?

3-[6-[1-[(1,4-dimethylpyrazol-5-yl)methyl]piperidin-3-yl]-2-pyridinyl]propanoic acid has a molecular weight of 342.44 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-[1-[(1,4-dimethylpyrazol-5-yl)methyl]piperidin-3-yl]-2-pyridinyl]propanoic acid is sourced from PubChem (CID 110258280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).