3-[1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide

C24H34N4O3 — CID 26406304

About 3-[1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide

3-[1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide (PubChem CID 26406304) has the molecular formula C24H34N4O3 and a molecular weight of 426.56 g/mol. Its IUPAC name is 3-[1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide.

Molecular Properties

• Compound Name: 3-[1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
• PubChem CID: 26406304
• Molecular Formula: C24H34N4O3
• Molecular Weight: 426.56 g/mol
• Exact Mass: 426.26
• IUPAC Name: 3-[1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
• SMILES: COc1ccc(-c2[nH]ncc2CN2CCC(CCC(=O)NC[C@H]3CCCO3)CC2)cc1
• InChI: InChI=1S/C24H34N4O3/c1-30-21-7-5-19(6-8-21)24-20(15-26-27-24)17-28-12-10-18(11-13-28)4-9-23(29)25-16-22-3-2-14-31-22/h5-8,15,18,22H,2-4,9-14,16-17H2,1H3,(H,25,29)(H,26,27)/t22-/m1/s1
• InChIKey: XFDFUDQYBQYBSI-JOCHJYFZSA-N
• XLogP: 3.37
• TPSA: 79.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.56
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide?

The IUPAC name of 3-[1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide (CID 26406304) is 3-[1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide.

What is the SMILES notation for 3-[1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide?

The canonical SMILES for 3-[1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide is COc1ccc(-c2[nH]ncc2CN2CCC(CCC(=O)NC[C@H]3CCCO3)CC2)cc1.

What is the InChIKey of 3-[1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide?

The InChIKey is XFDFUDQYBQYBSI-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H34N4O3/c1-30-21-7-5-19(6-8-21)24-20(15-26-27-24)17-28-12-10-18(11-13-28)4-9-23(29)25-16-22-3-2-14-31-22/h5-8,15,18,22H,2-4,9-14,16-17H2,1H3,(H,25,29)(H,26,27)/t22-/m1/s1.

What are the key properties of 3-[1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide?

3-[1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide has a molecular weight of 426.56 g/mol, XLogP of 3.37, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide is sourced from PubChem (CID 26406304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).