[1-(3-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone

C₂₀H₂₁N₃O₂ — CID 156811115

About [1-(3-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone

[1-(3-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone (PubChem CID 156811115) has the molecular formula C₂₀H₂₁N₃O₂ and a molecular weight of 335.41 g/mol. Its IUPAC name is [1-(3-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone.

Molecular Properties

• Compound Name: [1-(3-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone
• PubChem CID: 156811115
• Molecular Formula: C₂₀H₂₁N₃O₂
• Molecular Weight: 335.41 g/mol
• Exact Mass: 335.16
• IUPAC Name: [1-(3-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone
• SMILES: COc1cccc(-n2ccc3cc(C(=O)N4CCCCC4)cnc32)c1
• InChI: InChI=1S/C20H21N3O2/c1-25-18-7-5-6-17(13-18)23-11-8-15-12-16(14-21-19(15)23)20(24)22-9-3-2-4-10-22/h5-8,11-14H,2-4,9-10H2,1H3
• InChIKey: VPHIESWYDRPSSP-UHFFFAOYSA-N
• XLogP: 3.66
• TPSA: 47.36 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	335.41
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [1-(3-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone?

The IUPAC name of [1-(3-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone (CID 156811115) is [1-(3-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone.

What is the SMILES notation for [1-(3-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone?

The canonical SMILES for [1-(3-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone is COc1cccc(-n2ccc3cc(C(=O)N4CCCCC4)cnc32)c1.

What is the InChIKey of [1-(3-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone?

The InChIKey is VPHIESWYDRPSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-25-18-7-5-6-17(13-18)23-11-8-15-12-16(14-21-19(15)23)20(24)22-9-3-2-4-10-22/h5-8,11-14H,2-4,9-10H2,1H3.

What are the key properties of [1-(3-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone?

[1-(3-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone has a molecular weight of 335.41 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [1-(3-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 156811115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156811115 — identifiers, structure, computed properties (public domain)

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