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

C21H36N4O2 — CID 26396266

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

3-[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide (PubChem CID 26396266) has the molecular formula C21H36N4O2 and a molecular weight of 376.55 g/mol. Its IUPAC name is 3-[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide.

Molecular Properties

• Compound Name: 3-[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
• PubChem CID: 26396266
• Molecular Formula: C21H36N4O2
• Molecular Weight: 376.55 g/mol
• Exact Mass: 376.28
• IUPAC Name: 3-[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
• SMILES: CC(C)Cc1cc(CN2CCC(CCC(=O)NC[C@@H]3CCCO3)CC2)[nH]n1
• InChI: InChI=1S/C21H36N4O2/c1-16(2)12-18-13-19(24-23-18)15-25-9-7-17(8-10-25)5-6-21(26)22-14-20-4-3-11-27-20/h13,16-17,20H,3-12,14-15H2,1-2H3,(H,22,26)(H,23,24)/t20-/m0/s1
• InChIKey: YPUUIGJGJZVHJB-FQEVSTJZSA-N
• XLogP: 2.90
• TPSA: 70.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.55
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 3-[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide (CID 26396266) is 3-[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide.

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

The canonical SMILES for 3-[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide is CC(C)Cc1cc(CN2CCC(CCC(=O)NC[C@@H]3CCCO3)CC2)[nH]n1.

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

The InChIKey is YPUUIGJGJZVHJB-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H36N4O2/c1-16(2)12-18-13-19(24-23-18)15-25-9-7-17(8-10-25)5-6-21(26)22-14-20-4-3-11-27-20/h13,16-17,20H,3-12,14-15H2,1-2H3,(H,22,26)(H,23,24)/t20-/m0/s1.

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

3-[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide has a molecular weight of 376.55 g/mol, XLogP of 2.90, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide is sourced from PubChem (CID 26396266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).