Dipipanone

C₂₄H₃₁NO — CID 13331

About Dipipanone

Dipipanone (PubChem CID 13331) has the molecular formula C₂₄H₃₁NO and a molecular weight of 349.52 g/mol. Its IUPAC name is 4,4-diphenyl-6-piperidin-1-ylheptan-3-one.

Molecular Properties

• Compound Name: Dipipanone
• PubChem CID: 13331
• Molecular Formula: C₂₄H₃₁NO
• Molecular Weight: 349.52 g/mol
• Exact Mass: 349.24
• IUPAC Name: 4,4-diphenyl-6-piperidin-1-ylheptan-3-one
• SMILES: CCC(=O)C(CC(C)N1CCCCC1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C24H31NO/c1-3-23(26)24(21-13-7-4-8-14-21,22-15-9-5-10-16-22)19-20(2)25-17-11-6-12-18-25/h4-5,7-10,13-16,20H,3,6,11-12,17-19H2,1-2H3
• InChIKey: SVDHSZFEQYXRDC-UHFFFAOYSA-N
• XLogP: 5.22
• TPSA: 20.31 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	349.52
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of Dipipanone?

The IUPAC name of Dipipanone (CID 13331) is 4,4-diphenyl-6-piperidin-1-ylheptan-3-one.

What is the SMILES notation for Dipipanone?

The canonical SMILES for Dipipanone is CCC(=O)C(CC(C)N1CCCCC1)(c1ccccc1)c1ccccc1.

What is the InChIKey of Dipipanone?

The InChIKey is SVDHSZFEQYXRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO/c1-3-23(26)24(21-13-7-4-8-14-21,22-15-9-5-10-16-22)19-20(2)25-17-11-6-12-18-25/h4-5,7-10,13-16,20H,3,6,11-12,17-19H2,1-2H3.

What are the key properties of Dipipanone?

Dipipanone has a molecular weight of 349.52 g/mol, XLogP of 5.22, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Dipipanone is sourced from PubChem (CID 13331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 13331 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 921 — approved-drug record (CC BY-SA 4.0)

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