2-[4-(6-cyano-2-pyridinyl)piperazin-1-yl]acetic acid

C12H14N4O2 — CID 64590131

IUPAC2-[4-(6-cyano-2-pyridinyl)piperazin-1-yl]acetic acid
SMILESN#Cc1cccc(N2CCN(CC(=O)O)CC2)n1
InChIInChI=1S/C12H14N4O2/c13-8-10-2-1-3-11(14-10)16-6-4-15(5-7-16)9-12(17)18/h1-3H,4-7,9H2,(H,17,18)
InChIKeyQGKPVXUNPSONLJ-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.16
Rot. Bonds3

About 2-[4-(6-cyano-2-pyridinyl)piperazin-1-yl]acetic acid

2-[4-(6-cyano-2-pyridinyl)piperazin-1-yl]acetic acid (PubChem CID 64590131) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-[4-(6-cyano-2-pyridinyl)piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(6-cyano-2-pyridinyl)piperazin-1-yl]acetic acid
PubChem CID64590131
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name2-[4-(6-cyano-2-pyridinyl)piperazin-1-yl]acetic acid
SMILESN#Cc1cccc(N2CCN(CC(=O)O)CC2)n1
InChIInChI=1S/C12H14N4O2/c13-8-10-2-1-3-11(14-10)16-6-4-15(5-7-16)9-12(17)18/h1-3H,4-7,9H2,(H,17,18)
InChIKeyQGKPVXUNPSONLJ-UHFFFAOYSA-N
XLogP0.16
TPSA80.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-(6-cyano-2-pyridinyl)piperazin-1-yl]pyrazine-2-carboxylic acid
CID 122054893
6-(4-acetyl-1,4-diazepan-1-yl)pyridine-2-carbonitrile
CID 64594721
2-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]acetic acid
CID 43521668
6-[4-[2-(4-bromophenyl)sulfonylethyl]piperazin-1-yl]pyridine-2-carbonitrile
CID 133304356
6-(4-aminopiperidin-1-yl)pyridine-2-carbonitrile
CID 64587586
6-[4-(4-nitrobenzoyl)piperazin-1-yl]pyridine-2-carbonitrile
CID 122132156
[4-[4-(6-cyano-2-pyridinyl)piperazin-1-yl]phenyl]-oxoazanium hydroxide
CID 159211681
1-(6-cyano-2-pyridinyl)-N-cyclopropylpiperidine-4-carboxamide
CID 163345350
6-[4-(2,4,6-trifluorobenzoyl)piperidin-1-yl]pyridine-2-carbonitrile
CID 133304422
6-[4-(azetidin-3-yl)piperazin-1-yl]pyridine-2-carbonitrile
CID 66201042
6-(4-methyl-3-oxopiperazin-1-yl)pyridine-2-carbonitrile
CID 64681399
2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]acetic acid
CID 82167521

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-cyano-2-pyridinyl)piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-(6-cyano-2-pyridinyl)piperazin-1-yl]acetic acid (CID 64590131) is 2-[4-(6-cyano-2-pyridinyl)piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(6-cyano-2-pyridinyl)piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(6-cyano-2-pyridinyl)piperazin-1-yl]acetic acid is N#Cc1cccc(N2CCN(CC(=O)O)CC2)n1.
What is the InChIKey of 2-[4-(6-cyano-2-pyridinyl)piperazin-1-yl]acetic acid?
The InChIKey is QGKPVXUNPSONLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c13-8-10-2-1-3-11(14-10)16-6-4-15(5-7-16)9-12(17)18/h1-3H,4-7,9H2,(H,17,18).
What are the key properties of 2-[4-(6-cyano-2-pyridinyl)piperazin-1-yl]acetic acid?
2-[4-(6-cyano-2-pyridinyl)piperazin-1-yl]acetic acid has a molecular weight of 246.27 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-cyano-2-pyridinyl)piperazin-1-yl]acetic acid is sourced from PubChem (CID 64590131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).