Lapyrium

C₂₁H₃₅N₂O₃+ — CID 22660

About Lapyrium

Lapyrium (PubChem CID 22660) has the molecular formula C₂₁H₃₅N₂O₃+ and a molecular weight of 363.52 g/mol. Its IUPAC name is 2-[(2-pyridin-1-ium-1-ylacetyl)amino]ethyl dodecanoate.

Molecular Properties

• Compound Name: Lapyrium
• PubChem CID: 22660
• Molecular Formula: C₂₁H₃₅N₂O₃+
• Molecular Weight: 363.52 g/mol
• Exact Mass: 363.26
• IUPAC Name: 2-[(2-pyridin-1-ium-1-ylacetyl)amino]ethyl dodecanoate
• SMILES: CCCCCCCCCCCC(=O)OCCNC(=O)C[n+]1ccccc1
• InChI: InChI=1S/C21H34N2O3/c1-2-3-4-5-6-7-8-9-11-14-21(25)26-18-15-22-20(24)19-23-16-12-10-13-17-23/h10,12-13,16-17H,2-9,11,14-15,18-19H2,1H3/p+1
• InChIKey: UGJWZYARKOFRDB-UHFFFAOYSA-O
• XLogP: 3.55
• TPSA: 59.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 15
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.52
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Lapyrium?

The IUPAC name of Lapyrium (CID 22660) is 2-[(2-pyridin-1-ium-1-ylacetyl)amino]ethyl dodecanoate.

What is the SMILES notation for Lapyrium?

The canonical SMILES for Lapyrium is CCCCCCCCCCCC(=O)OCCNC(=O)C[n+]1ccccc1.

What is the InChIKey of Lapyrium?

The InChIKey is UGJWZYARKOFRDB-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H34N2O3/c1-2-3-4-5-6-7-8-9-11-14-21(25)26-18-15-22-20(24)19-23-16-12-10-13-17-23/h10,12-13,16-17H,2-9,11,14-15,18-19H2,1H3/p+1.

What are the key properties of Lapyrium?

Lapyrium has a molecular weight of 363.52 g/mol, XLogP of 3.55, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Lapyrium is sourced from PubChem (CID 22660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 22660 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 3314 — approved-drug record (CC BY-SA 4.0)

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