1-(5-methoxy-2-pyridinyl)piperazine-2-carboxylic acid

C11H15N3O3 — CID 106504446

IUPAC1-(5-methoxy-2-pyridinyl)piperazine-2-carboxylic acid
SMILESCOc1ccc(N2CCNCC2C(=O)O)nc1
InChIInChI=1S/C11H15N3O3/c1-17-8-2-3-10(13-6-8)14-5-4-12-7-9(14)11(15)16/h2-3,6,9,12H,4-5,7H2,1H3,(H,15,16)
InChIKeyFPKRGCVQAGFQGR-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.05
Rot. Bonds3

About 1-(5-methoxy-2-pyridinyl)piperazine-2-carboxylic acid

1-(5-methoxy-2-pyridinyl)piperazine-2-carboxylic acid (PubChem CID 106504446) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-(5-methoxy-2-pyridinyl)piperazine-2-carboxylic acid.

Molecular Properties

Compound Name1-(5-methoxy-2-pyridinyl)piperazine-2-carboxylic acid
PubChem CID106504446
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name1-(5-methoxy-2-pyridinyl)piperazine-2-carboxylic acid
SMILESCOc1ccc(N2CCNCC2C(=O)O)nc1
InChIInChI=1S/C11H15N3O3/c1-17-8-2-3-10(13-6-8)14-5-4-12-7-9(14)11(15)16/h2-3,6,9,12H,4-5,7H2,1H3,(H,15,16)
InChIKeyFPKRGCVQAGFQGR-UHFFFAOYSA-N
XLogP-0.05
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-2-pyridinyl)piperazine-2-carboxylic acid?
The IUPAC name of 1-(5-methoxy-2-pyridinyl)piperazine-2-carboxylic acid (CID 106504446) is 1-(5-methoxy-2-pyridinyl)piperazine-2-carboxylic acid.
What is the SMILES notation for 1-(5-methoxy-2-pyridinyl)piperazine-2-carboxylic acid?
The canonical SMILES for 1-(5-methoxy-2-pyridinyl)piperazine-2-carboxylic acid is COc1ccc(N2CCNCC2C(=O)O)nc1.
What is the InChIKey of 1-(5-methoxy-2-pyridinyl)piperazine-2-carboxylic acid?
The InChIKey is FPKRGCVQAGFQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-17-8-2-3-10(13-6-8)14-5-4-12-7-9(14)11(15)16/h2-3,6,9,12H,4-5,7H2,1H3,(H,15,16).
What are the key properties of 1-(5-methoxy-2-pyridinyl)piperazine-2-carboxylic acid?
1-(5-methoxy-2-pyridinyl)piperazine-2-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of -0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-2-pyridinyl)piperazine-2-carboxylic acid is sourced from PubChem (CID 106504446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).