Pipamazine

C₂₁H₂₄ClN₃OS — CID 6761

About Pipamazine

Pipamazine (PubChem CID 6761) has the molecular formula C₂₁H₂₄ClN₃OS and a molecular weight of 401.96 g/mol. Its IUPAC name is 1-[3-(2-chlorophenothiazin-10-yl)propyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: Pipamazine
• PubChem CID: 6761
• Molecular Formula: C₂₁H₂₄ClN₃OS
• Molecular Weight: 401.96 g/mol
• Exact Mass: 401.13
• IUPAC Name: 1-[3-(2-chlorophenothiazin-10-yl)propyl]piperidine-4-carboxamide
• SMILES: NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1
• InChI: InChI=1S/C21H24ClN3OS/c22-16-6-7-20-18(14-16)25(17-4-1-2-5-19(17)27-20)11-3-10-24-12-8-15(9-13-24)21(23)26/h1-2,4-7,14-15H,3,8-13H2,(H2,23,26)
• InChIKey: OSJJYEUEJRVVOD-UHFFFAOYSA-N
• XLogP: 4.53
• TPSA: 49.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.96
LogP ≤ 5	4.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of Pipamazine?

The IUPAC name of Pipamazine (CID 6761) is 1-[3-(2-chlorophenothiazin-10-yl)propyl]piperidine-4-carboxamide.

What is the SMILES notation for Pipamazine?

The canonical SMILES for Pipamazine is NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1.

What is the InChIKey of Pipamazine?

The InChIKey is OSJJYEUEJRVVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3OS/c22-16-6-7-20-18(14-16)25(17-4-1-2-5-19(17)27-20)11-3-10-24-12-8-15(9-13-24)21(23)26/h1-2,4-7,14-15H,3,8-13H2,(H2,23,26).

What are the key properties of Pipamazine?

Pipamazine has a molecular weight of 401.96 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Pipamazine is sourced from PubChem (CID 6761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 6761 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 2180 — approved-drug record (CC BY-SA 4.0)

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