2-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone

C20H27N5O3S — CID 86895521

About 2-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone

2-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone (PubChem CID 86895521) has the molecular formula C20H27N5O3S and a molecular weight of 417.54 g/mol. Its IUPAC name is 2-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
• PubChem CID: 86895521
• Molecular Formula: C20H27N5O3S
• Molecular Weight: 417.54 g/mol
• Exact Mass: 417.18
• IUPAC Name: 2-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
• SMILES: Cc1cnn(CC2CN(CC(=O)N3CCN(C(=O)c4cccs4)CC3)CCO2)c1
• InChI: InChI=1S/C20H27N5O3S/c1-16-11-21-25(12-16)14-17-13-22(8-9-28-17)15-19(26)23-4-6-24(7-5-23)20(27)18-3-2-10-29-18/h2-3,10-12,17H,4-9,13-15H2,1H3
• InChIKey: VRTQABQCOJUAGE-UHFFFAOYSA-N
• XLogP: 0.94
• TPSA: 70.91 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.54
LogP ≤ 5	0.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone?

The IUPAC name of 2-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone (CID 86895521) is 2-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone.

What is the SMILES notation for 2-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone?

The canonical SMILES for 2-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone is Cc1cnn(CC2CN(CC(=O)N3CCN(C(=O)c4cccs4)CC3)CCO2)c1.

What is the InChIKey of 2-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone?

The InChIKey is VRTQABQCOJUAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3S/c1-16-11-21-25(12-16)14-17-13-22(8-9-28-17)15-19(26)23-4-6-24(7-5-23)20(27)18-3-2-10-29-18/h2-3,10-12,17H,4-9,13-15H2,1H3.

What are the key properties of 2-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone?

2-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 417.54 g/mol, XLogP of 0.94, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 86895521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).