1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]piperidine-2-carboxylic acid

C15H17N3O3 — CID 102553989

IUPAC1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)Cc1c[nH]c2ncccc12
InChIInChI=1S/C15H17N3O3/c19-13(18-7-2-1-5-12(18)15(20)21)8-10-9-17-14-11(10)4-3-6-16-14/h3-4,6,9,12H,1-2,5,7-8H2,(H,16,17)(H,20,21)
InChIKeyQRYFRHMNLZTDHA-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.57
Rot. Bonds3

About 1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]piperidine-2-carboxylic acid

1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]piperidine-2-carboxylic acid (PubChem CID 102553989) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]piperidine-2-carboxylic acid
PubChem CID102553989
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)Cc1c[nH]c2ncccc12
InChIInChI=1S/C15H17N3O3/c19-13(18-7-2-1-5-12(18)15(20)21)8-10-9-17-14-11(10)4-3-6-16-14/h3-4,6,9,12H,1-2,5,7-8H2,(H,16,17)(H,20,21)
InChIKeyQRYFRHMNLZTDHA-UHFFFAOYSA-N
XLogP1.57
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]piperidine-2-carboxylic acid
CID 99713717
1-[(2R)-2-(furan-2-yl)azepan-1-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 97079135
1-(1,2-oxazolidin-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 75504186
1-[2-(3-methyl-2-pyridinyl)acetyl]azepane-2-carboxylic acid
CID 107147224
(2R)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-2-carboxylic acid
CID 92650290
1-(2-naphthalen-1-ylacetyl)piperidine-2-carboxylic acid
CID 43822910
N-cyclohexyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 53014081
2-[acetyl-[(4R)-1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]azepan-4-yl]amino]acetic acid
CID 129342694
1-[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 128989784
1-[(2S)-2-[(4-cyclopropyltriazol-1-yl)methyl]pyrrolidin-1-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 120949855
1-[2-(5-methoxy-1H-indol-3-yl)acetyl]piperidine-2-carboxylic acid
CID 119176125
(2S)-1-[2-(3-methyl-2-pyridinyl)acetyl]pyrrolidine-2-carboxylic acid
CID 107147142

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]piperidine-2-carboxylic acid (CID 102553989) is 1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]piperidine-2-carboxylic acid is O=C(O)C1CCCCN1C(=O)Cc1c[nH]c2ncccc12.
What is the InChIKey of 1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]piperidine-2-carboxylic acid?
The InChIKey is QRYFRHMNLZTDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c19-13(18-7-2-1-5-12(18)15(20)21)8-10-9-17-14-11(10)4-3-6-16-14/h3-4,6,9,12H,1-2,5,7-8H2,(H,16,17)(H,20,21).
What are the key properties of 1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]piperidine-2-carboxylic acid?
1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]piperidine-2-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 102553989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).