Alizapride

C₁₆H₂₁N₅O₂ — CID 135413504

About Alizapride

Alizapride (PubChem CID 135413504) has the molecular formula C₁₆H₂₁N₅O₂ and a molecular weight of 315.38 g/mol. Its IUPAC name is 6-methoxy-N-[(1-prop-2-enylpyrrolidin-2-yl)methyl]-3H-benzotriazole-5-carboxamide.

Molecular Properties

• Compound Name: Alizapride
• PubChem CID: 135413504
• Molecular Formula: C₁₆H₂₁N₅O₂
• Molecular Weight: 315.38 g/mol
• Exact Mass: 315.17
• IUPAC Name: 6-methoxy-N-[(1-prop-2-enylpyrrolidin-2-yl)methyl]-3H-benzotriazole-5-carboxamide
• SMILES: C=CCN1CCCC1CNC(=O)c1cc2[nH]nnc2cc1OC
• InChI: InChI=1S/C16H21N5O2/c1-3-6-21-7-4-5-11(21)10-17-16(22)12-8-13-14(19-20-18-13)9-15(12)23-2/h3,8-9,11H,1,4-7,10H2,2H3,(H,17,22)(H,18,19,20)
• InChIKey: KSEYRUGYKHXGFW-UHFFFAOYSA-N
• XLogP: 1.35
• TPSA: 83.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	315.38
LogP ≤ 5	1.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Alizapride?

The IUPAC name of Alizapride (CID 135413504) is 6-methoxy-N-[(1-prop-2-enylpyrrolidin-2-yl)methyl]-3H-benzotriazole-5-carboxamide.

What is the SMILES notation for Alizapride?

The canonical SMILES for Alizapride is C=CCN1CCCC1CNC(=O)c1cc2[nH]nnc2cc1OC.

What is the InChIKey of Alizapride?

The InChIKey is KSEYRUGYKHXGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-3-6-21-7-4-5-11(21)10-17-16(22)12-8-13-14(19-20-18-13)9-15(12)23-2/h3,8-9,11H,1,4-7,10H2,2H3,(H,17,22)(H,18,19,20).

What are the key properties of Alizapride?

Alizapride has a molecular weight of 315.38 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Alizapride is sourced from PubChem (CID 135413504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 135413504 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 120 — approved-drug record (CC BY-SA 4.0)

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