1-[3-hydroxy-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]butan-1-one

C₁₆H₂₁N₃O₂ — CID 155558238

About 1-[3-hydroxy-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]butan-1-one

1-[3-hydroxy-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]butan-1-one (PubChem CID 155558238) has the molecular formula C₁₆H₂₁N₃O₂ and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-[3-hydroxy-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]butan-1-one.

Molecular Properties

• Compound Name: 1-[3-hydroxy-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]butan-1-one
• PubChem CID: 155558238
• Molecular Formula: C₁₆H₂₁N₃O₂
• Molecular Weight: 287.36 g/mol
• Exact Mass: 287.16
• IUPAC Name: 1-[3-hydroxy-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]butan-1-one
• SMILES: CCCC(=O)N1CCCC(O)(c2cc3ncccc3[nH]2)C1
• InChI: InChI=1S/C16H21N3O2/c1-2-5-15(20)19-9-4-7-16(21,11-19)14-10-13-12(18-14)6-3-8-17-13/h3,6,8,10,18,21H,2,4-5,7,9,11H2,1H3
• InChIKey: FJCFUQRUOOONOG-UHFFFAOYSA-N
• XLogP: 2.17
• TPSA: 69.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	287.36
LogP ≤ 5	2.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-[3-hydroxy-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]butan-1-one?

The IUPAC name of 1-[3-hydroxy-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]butan-1-one (CID 155558238) is 1-[3-hydroxy-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]butan-1-one.

What is the SMILES notation for 1-[3-hydroxy-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]butan-1-one?

The canonical SMILES for 1-[3-hydroxy-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]butan-1-one is CCCC(=O)N1CCCC(O)(c2cc3ncccc3[nH]2)C1.

What is the InChIKey of 1-[3-hydroxy-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]butan-1-one?

The InChIKey is FJCFUQRUOOONOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-2-5-15(20)19-9-4-7-16(21,11-19)14-10-13-12(18-14)6-3-8-17-13/h3,6,8,10,18,21H,2,4-5,7,9,11H2,1H3.

What are the key properties of 1-[3-hydroxy-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]butan-1-one?

1-[3-hydroxy-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]butan-1-one has a molecular weight of 287.36 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-hydroxy-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 155558238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155558238 — identifiers, structure, computed properties (public domain)

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