2-(4-formylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide

C₁₇H₂₄N₄O₂ — CID 108995838

About 2-(4-formylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide

2-(4-formylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 108995838) has the molecular formula C₁₇H₂₄N₄O₂ and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-(4-formylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-(4-formylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
• PubChem CID: 108995838
• Molecular Formula: C₁₇H₂₄N₄O₂
• Molecular Weight: 316.40 g/mol
• Exact Mass: 316.19
• IUPAC Name: 2-(4-formylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
• SMILES: O=CN1CCN(CC(=O)Nc2ccc(N3CCCC3)cc2)CC1
• InChI: InChI=1S/C17H24N4O2/c22-14-20-11-9-19(10-12-20)13-17(23)18-15-3-5-16(6-4-15)21-7-1-2-8-21/h3-6,14H,1-2,7-13H2,(H,18,23)
• InChIKey: VAYIHPAVKDOMIC-UHFFFAOYSA-N
• XLogP: 1.00
• TPSA: 55.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	316.40
LogP ≤ 5	1.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-formylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide?

The IUPAC name of 2-(4-formylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide (CID 108995838) is 2-(4-formylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide.

What is the SMILES notation for 2-(4-formylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide?

The canonical SMILES for 2-(4-formylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide is O=CN1CCN(CC(=O)Nc2ccc(N3CCCC3)cc2)CC1.

What is the InChIKey of 2-(4-formylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide?

The InChIKey is VAYIHPAVKDOMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c22-14-20-11-9-19(10-12-20)13-17(23)18-15-3-5-16(6-4-15)21-7-1-2-8-21/h3-6,14H,1-2,7-13H2,(H,18,23).

What are the key properties of 2-(4-formylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide?

2-(4-formylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 316.40 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-formylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 108995838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 108995838 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.