2-[1-(6-cyano-2-pyridinyl)-3-oxopiperazin-2-yl]acetic acid

C12H12N4O3 — CID 64588952

IUPAC2-[1-(6-cyano-2-pyridinyl)-3-oxopiperazin-2-yl]acetic acid
SMILESN#Cc1cccc(N2CCNC(=O)C2CC(=O)O)n1
InChIInChI=1S/C12H12N4O3/c13-7-8-2-1-3-10(15-8)16-5-4-14-12(19)9(16)6-11(17)18/h1-3,9H,4-6H2,(H,14,19)(H,17,18)
InChIKeyVNCYZUVGJZXTBS-UHFFFAOYSA-N
MW260.25 g/mol
LogP-0.27
Rot. Bonds3

About 2-[1-(6-cyano-2-pyridinyl)-3-oxopiperazin-2-yl]acetic acid

2-[1-(6-cyano-2-pyridinyl)-3-oxopiperazin-2-yl]acetic acid (PubChem CID 64588952) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is 2-[1-(6-cyano-2-pyridinyl)-3-oxopiperazin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(6-cyano-2-pyridinyl)-3-oxopiperazin-2-yl]acetic acid
PubChem CID64588952
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC Name2-[1-(6-cyano-2-pyridinyl)-3-oxopiperazin-2-yl]acetic acid
SMILESN#Cc1cccc(N2CCNC(=O)C2CC(=O)O)n1
InChIInChI=1S/C12H12N4O3/c13-7-8-2-1-3-10(15-8)16-5-4-14-12(19)9(16)6-11(17)18/h1-3,9H,4-6H2,(H,14,19)(H,17,18)
InChIKeyVNCYZUVGJZXTBS-UHFFFAOYSA-N
XLogP-0.27
TPSA106.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(2-cyano-3-fluorophenyl)-3-oxopiperazin-2-yl]acetic acid
CID 79513830
2-[1-(4-cyano-3-methylphenyl)-3-oxopiperazin-2-yl]acetic acid
CID 81273949
2-[1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-3-oxopiperazin-2-yl]acetic acid
CID 136958964
2-(3-oxo-1-quinazolin-2-ylpiperazin-2-yl)acetic acid
CID 114788579
2-[1-(2-fluorophenyl)-3-oxopiperazin-2-yl]acetic acid
CID 82019151
2-[1-(5-fluoropyrimidin-2-yl)-3-oxopiperazin-2-yl]acetic acid
CID 104605926
2-[1-(3,6-dimethylpyrazin-2-yl)-3-oxopiperazin-2-yl]acetic acid
CID 65418820
2-[4-(6-cyano-2-pyridinyl)piperazin-1-yl]acetic acid
CID 64590131
6-[2-(aminomethyl)azetidin-1-yl]pyridine-2-carbonitrile;oxalic acid
CID 67746703
2-[1-(3-chloro-2-nitrophenyl)-3-oxopiperazin-2-yl]acetic acid
CID 104835181
2-[1-(4-methoxybenzoyl)-3-oxopiperazin-2-yl]acetic acid
CID 62032410
2-[1-[(3-hydroxyphenyl)methyl]-3-oxopiperazin-2-yl]acetic acid
CID 65071352

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-cyano-2-pyridinyl)-3-oxopiperazin-2-yl]acetic acid?
The IUPAC name of 2-[1-(6-cyano-2-pyridinyl)-3-oxopiperazin-2-yl]acetic acid (CID 64588952) is 2-[1-(6-cyano-2-pyridinyl)-3-oxopiperazin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(6-cyano-2-pyridinyl)-3-oxopiperazin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(6-cyano-2-pyridinyl)-3-oxopiperazin-2-yl]acetic acid is N#Cc1cccc(N2CCNC(=O)C2CC(=O)O)n1.
What is the InChIKey of 2-[1-(6-cyano-2-pyridinyl)-3-oxopiperazin-2-yl]acetic acid?
The InChIKey is VNCYZUVGJZXTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3/c13-7-8-2-1-3-10(15-8)16-5-4-14-12(19)9(16)6-11(17)18/h1-3,9H,4-6H2,(H,14,19)(H,17,18).
What are the key properties of 2-[1-(6-cyano-2-pyridinyl)-3-oxopiperazin-2-yl]acetic acid?
2-[1-(6-cyano-2-pyridinyl)-3-oxopiperazin-2-yl]acetic acid has a molecular weight of 260.25 g/mol, XLogP of -0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-cyano-2-pyridinyl)-3-oxopiperazin-2-yl]acetic acid is sourced from PubChem (CID 64588952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).