Alimix

C₂₃H₂₉ClFN₃O₄ — CID 2769

About Alimix

Alimix (PubChem CID 2769) has the molecular formula C₂₃H₂₉ClFN₃O₄ and a molecular weight of 465.95 g/mol. Its IUPAC name is 4-amino-5-chloro-N-[1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide.

Molecular Properties

• Compound Name: Alimix
• PubChem CID: 2769
• Molecular Formula: C₂₃H₂₉ClFN₃O₄
• Molecular Weight: 465.95 g/mol
• Exact Mass: 465.18
• IUPAC Name: 4-amino-5-chloro-N-[1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide
• SMILES: COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCOc2ccc(F)cc2)CC1OC
• InChI: InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29)
• InChIKey: DCSUBABJRXZOMT-UHFFFAOYSA-N
• XLogP: 3.36
• TPSA: 86.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.95
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Alimix?

The IUPAC name of Alimix (CID 2769) is 4-amino-5-chloro-N-[1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide.

What is the SMILES notation for Alimix?

The canonical SMILES for Alimix is COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCOc2ccc(F)cc2)CC1OC.

What is the InChIKey of Alimix?

The InChIKey is DCSUBABJRXZOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29).

What are the key properties of Alimix?

Alimix has a molecular weight of 465.95 g/mol, XLogP of 3.36, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for Alimix is sourced from PubChem (CID 2769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 2769 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 660 — approved-drug record (CC BY-SA 4.0)

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