2-(3,5-dimethylpyrazol-1-yl)-1-[3-[5-[(2-ethoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone

C26H32N4O2 — CID 110264051

About 2-(3,5-dimethylpyrazol-1-yl)-1-[3-[5-[(2-ethoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone

2-(3,5-dimethylpyrazol-1-yl)-1-[3-[5-[(2-ethoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone (PubChem CID 110264051) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-1-[3-[5-[(2-ethoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-(3,5-dimethylpyrazol-1-yl)-1-[3-[5-[(2-ethoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone
• PubChem CID: 110264051
• Molecular Formula: C26H32N4O2
• Molecular Weight: 432.57 g/mol
• Exact Mass: 432.25
• IUPAC Name: 2-(3,5-dimethylpyrazol-1-yl)-1-[3-[5-[(2-ethoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone
• SMILES: CCOc1ccccc1Cc1ccc(C2CCCN(C(=O)Cn3nc(C)cc3C)C2)nc1
• InChI: InChI=1S/C26H32N4O2/c1-4-32-25-10-6-5-8-22(25)15-21-11-12-24(27-16-21)23-9-7-13-29(17-23)26(31)18-30-20(3)14-19(2)28-30/h5-6,8,10-12,14,16,23H,4,7,9,13,15,17-18H2,1-3H3
• InChIKey: RDLUABIJVSPLCA-UHFFFAOYSA-N
• XLogP: 4.29
• TPSA: 60.25 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.57
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-1-[3-[5-[(2-ethoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone?

The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-1-[3-[5-[(2-ethoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone (CID 110264051) is 2-(3,5-dimethylpyrazol-1-yl)-1-[3-[5-[(2-ethoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone.

What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-1-[3-[5-[(2-ethoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone?

The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-1-[3-[5-[(2-ethoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone is CCOc1ccccc1Cc1ccc(C2CCCN(C(=O)Cn3nc(C)cc3C)C2)nc1.

What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-1-[3-[5-[(2-ethoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone?

The InChIKey is RDLUABIJVSPLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2/c1-4-32-25-10-6-5-8-22(25)15-21-11-12-24(27-16-21)23-9-7-13-29(17-23)26(31)18-30-20(3)14-19(2)28-30/h5-6,8,10-12,14,16,23H,4,7,9,13,15,17-18H2,1-3H3.

What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-1-[3-[5-[(2-ethoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone?

2-(3,5-dimethylpyrazol-1-yl)-1-[3-[5-[(2-ethoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone has a molecular weight of 432.57 g/mol, XLogP of 4.29, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,5-dimethylpyrazol-1-yl)-1-[3-[5-[(2-ethoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 110264051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).