2-(1H-pyrrolo[3,2-c]pyridin-3-yl)piperidine-4-carboxylic acid

C13H15N3O2 — CID 82385079

IUPAC2-(1H-pyrrolo[3,2-c]pyridin-3-yl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCNC(c2c[nH]c3ccncc23)C1
InChIInChI=1S/C13H15N3O2/c17-13(18)8-1-4-15-12(5-8)10-7-16-11-2-3-14-6-9(10)11/h2-3,6-8,12,15-16H,1,4-5H2,(H,17,18)
InChIKeyFPCVQMNJRLOFOR-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.69
Rot. Bonds2

About 2-(1H-pyrrolo[3,2-c]pyridin-3-yl)piperidine-4-carboxylic acid

2-(1H-pyrrolo[3,2-c]pyridin-3-yl)piperidine-4-carboxylic acid (PubChem CID 82385079) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-(1H-pyrrolo[3,2-c]pyridin-3-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(1H-pyrrolo[3,2-c]pyridin-3-yl)piperidine-4-carboxylic acid
PubChem CID82385079
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-(1H-pyrrolo[3,2-c]pyridin-3-yl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCNC(c2c[nH]c3ccncc23)C1
InChIInChI=1S/C13H15N3O2/c17-13(18)8-1-4-15-12(5-8)10-7-16-11-2-3-14-6-9(10)11/h2-3,6-8,12,15-16H,1,4-5H2,(H,17,18)
InChIKeyFPCVQMNJRLOFOR-UHFFFAOYSA-N
XLogP1.69
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrrolo[3,2-c]pyridin-3-yl)piperidine-4-carboxylic acid?
The IUPAC name of 2-(1H-pyrrolo[3,2-c]pyridin-3-yl)piperidine-4-carboxylic acid (CID 82385079) is 2-(1H-pyrrolo[3,2-c]pyridin-3-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 2-(1H-pyrrolo[3,2-c]pyridin-3-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 2-(1H-pyrrolo[3,2-c]pyridin-3-yl)piperidine-4-carboxylic acid is O=C(O)C1CCNC(c2c[nH]c3ccncc23)C1.
What is the InChIKey of 2-(1H-pyrrolo[3,2-c]pyridin-3-yl)piperidine-4-carboxylic acid?
The InChIKey is FPCVQMNJRLOFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c17-13(18)8-1-4-15-12(5-8)10-7-16-11-2-3-14-6-9(10)11/h2-3,6-8,12,15-16H,1,4-5H2,(H,17,18).
What are the key properties of 2-(1H-pyrrolo[3,2-c]pyridin-3-yl)piperidine-4-carboxylic acid?
2-(1H-pyrrolo[3,2-c]pyridin-3-yl)piperidine-4-carboxylic acid has a molecular weight of 245.28 g/mol, XLogP of 1.69, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrrolo[3,2-c]pyridin-3-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 82385079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).