2-piperazin-1-ylindolizine-3-carboxylic acid

C13H15N3O2 — CID 82376180

IUPAC2-piperazin-1-ylindolizine-3-carboxylic acid
SMILESO=C(O)c1c(N2CCNCC2)cc2ccccn12
InChIInChI=1S/C13H15N3O2/c17-13(18)12-11(15-7-4-14-5-8-15)9-10-3-1-2-6-16(10)12/h1-3,6,9,14H,4-5,7-8H2,(H,17,18)
InChIKeyRLTQNUSUPOUOCZ-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.05
Rot. Bonds2

About 2-piperazin-1-ylindolizine-3-carboxylic acid

2-piperazin-1-ylindolizine-3-carboxylic acid (PubChem CID 82376180) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-piperazin-1-ylindolizine-3-carboxylic acid.

Molecular Properties

Compound Name2-piperazin-1-ylindolizine-3-carboxylic acid
PubChem CID82376180
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-piperazin-1-ylindolizine-3-carboxylic acid
SMILESO=C(O)c1c(N2CCNCC2)cc2ccccn12
InChIInChI=1S/C13H15N3O2/c17-13(18)12-11(15-7-4-14-5-8-15)9-10-3-1-2-6-16(10)12/h1-3,6,9,14H,4-5,7-8H2,(H,17,18)
InChIKeyRLTQNUSUPOUOCZ-UHFFFAOYSA-N
XLogP1.05
TPSA56.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-ylindolizine-3-carboxylic acid?
The IUPAC name of 2-piperazin-1-ylindolizine-3-carboxylic acid (CID 82376180) is 2-piperazin-1-ylindolizine-3-carboxylic acid.
What is the SMILES notation for 2-piperazin-1-ylindolizine-3-carboxylic acid?
The canonical SMILES for 2-piperazin-1-ylindolizine-3-carboxylic acid is O=C(O)c1c(N2CCNCC2)cc2ccccn12.
What is the InChIKey of 2-piperazin-1-ylindolizine-3-carboxylic acid?
The InChIKey is RLTQNUSUPOUOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c17-13(18)12-11(15-7-4-14-5-8-15)9-10-3-1-2-6-16(10)12/h1-3,6,9,14H,4-5,7-8H2,(H,17,18).
What are the key properties of 2-piperazin-1-ylindolizine-3-carboxylic acid?
2-piperazin-1-ylindolizine-3-carboxylic acid has a molecular weight of 245.28 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-ylindolizine-3-carboxylic acid is sourced from PubChem (CID 82376180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).