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

C16H21N3O2 — CID 155558238

IUPAC1-[3-hydroxy-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCCC(O)(c2cc3ncccc3[nH]2)C1
InChIInChI=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
InChIKeyFJCFUQRUOOONOG-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.17
Rot. Bonds3

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 Name1-[3-hydroxy-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]butan-1-one
PubChem CID155558238
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-[3-hydroxy-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCCC(O)(c2cc3ncccc3[nH]2)C1
InChIInChI=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
InChIKeyFJCFUQRUOOONOG-UHFFFAOYSA-N
XLogP2.17
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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).