Ketobemidone

C₁₅H₂₁NO₂ — CID 10101

About Ketobemidone

Ketobemidone (PubChem CID 10101) has the molecular formula C₁₅H₂₁NO₂ and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[4-(3-hydroxyphenyl)-1-methylpiperidin-4-yl]propan-1-one.

Molecular Properties

• Compound Name: Ketobemidone
• PubChem CID: 10101
• Molecular Formula: C₁₅H₂₁NO₂
• Molecular Weight: 247.34 g/mol
• Exact Mass: 247.16
• IUPAC Name: 1-[4-(3-hydroxyphenyl)-1-methylpiperidin-4-yl]propan-1-one
• SMILES: CCC(=O)C1(c2cccc(O)c2)CCN(C)CC1
• InChI: InChI=1S/C15H21NO2/c1-3-14(18)15(7-9-16(2)10-8-15)12-5-4-6-13(17)11-12/h4-6,11,17H,3,7-10H2,1-2H3
• InChIKey: ALFGKMXHOUSVAD-UHFFFAOYSA-N
• XLogP: 2.33
• TPSA: 40.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	247.34
LogP ≤ 5	2.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of Ketobemidone?

The IUPAC name of Ketobemidone (CID 10101) is 1-[4-(3-hydroxyphenyl)-1-methylpiperidin-4-yl]propan-1-one.

What is the SMILES notation for Ketobemidone?

The canonical SMILES for Ketobemidone is CCC(=O)C1(c2cccc(O)c2)CCN(C)CC1.

What is the InChIKey of Ketobemidone?

The InChIKey is ALFGKMXHOUSVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-14(18)15(7-9-16(2)10-8-15)12-5-4-6-13(17)11-12/h4-6,11,17H,3,7-10H2,1-2H3.

What are the key properties of Ketobemidone?

Ketobemidone has a molecular weight of 247.34 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Ketobemidone is sourced from PubChem (CID 10101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 10101 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 1526 — approved-drug record (CC BY-SA 4.0)

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