2-[4-(6-oxo-1H-pyrazine-3-carbonyl)piperazin-1-yl]acetic acid

C11H14N4O4 — CID 43521411

IUPAC2-[4-(6-oxo-1H-pyrazine-3-carbonyl)piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(C(=O)c2c[nH]c(=O)cn2)CC1
InChIInChI=1S/C11H14N4O4/c16-9-6-12-8(5-13-9)11(19)15-3-1-14(2-4-15)7-10(17)18/h5-6H,1-4,7H2,(H,13,16)(H,17,18)
InChIKeyCXAGIWALTQCHQI-UHFFFAOYSA-N
MW266.26 g/mol
LogP-1.39
Rot. Bonds3

About 2-[4-(6-oxo-1H-pyrazine-3-carbonyl)piperazin-1-yl]acetic acid

2-[4-(6-oxo-1H-pyrazine-3-carbonyl)piperazin-1-yl]acetic acid (PubChem CID 43521411) has the molecular formula C11H14N4O4 and a molecular weight of 266.26 g/mol. Its IUPAC name is 2-[4-(6-oxo-1H-pyrazine-3-carbonyl)piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(6-oxo-1H-pyrazine-3-carbonyl)piperazin-1-yl]acetic acid
PubChem CID43521411
Molecular FormulaC11H14N4O4
Molecular Weight266.26 g/mol
Exact Mass266.10
IUPAC Name2-[4-(6-oxo-1H-pyrazine-3-carbonyl)piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(C(=O)c2c[nH]c(=O)cn2)CC1
InChIInChI=1S/C11H14N4O4/c16-9-6-12-8(5-13-9)11(19)15-3-1-14(2-4-15)7-10(17)18/h5-6H,1-4,7H2,(H,13,16)(H,17,18)
InChIKeyCXAGIWALTQCHQI-UHFFFAOYSA-N
XLogP-1.39
TPSA106.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 5-1.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-oxo-1H-pyrazine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258463
5-(piperazine-1-carbonyl)-1H-pyrazin-2-one
CID 28788615
2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid
CID 28789420
(2R)-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
CID 28789556
(2S)-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
CID 28789558
2-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid
CID 28789977
2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
CID 43211062
2-[[2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetyl]amino]acetic acid
CID 43465507
5-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1H-pyrazin-2-one
CID 43501386
3-[4-(6-oxo-1H-pyrazine-3-carbonyl)piperazin-1-yl]propanoic acid
CID 43522085
6-oxo-N-(2-piperazin-1-ylethyl)-1H-pyrazine-3-carboxamide
CID 43600288
methyl 2-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate
CID 43623356

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-oxo-1H-pyrazine-3-carbonyl)piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-(6-oxo-1H-pyrazine-3-carbonyl)piperazin-1-yl]acetic acid (CID 43521411) is 2-[4-(6-oxo-1H-pyrazine-3-carbonyl)piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(6-oxo-1H-pyrazine-3-carbonyl)piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(6-oxo-1H-pyrazine-3-carbonyl)piperazin-1-yl]acetic acid is O=C(O)CN1CCN(C(=O)c2c[nH]c(=O)cn2)CC1.
What is the InChIKey of 2-[4-(6-oxo-1H-pyrazine-3-carbonyl)piperazin-1-yl]acetic acid?
The InChIKey is CXAGIWALTQCHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O4/c16-9-6-12-8(5-13-9)11(19)15-3-1-14(2-4-15)7-10(17)18/h5-6H,1-4,7H2,(H,13,16)(H,17,18).
What are the key properties of 2-[4-(6-oxo-1H-pyrazine-3-carbonyl)piperazin-1-yl]acetic acid?
2-[4-(6-oxo-1H-pyrazine-3-carbonyl)piperazin-1-yl]acetic acid has a molecular weight of 266.26 g/mol, XLogP of -1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-oxo-1H-pyrazine-3-carbonyl)piperazin-1-yl]acetic acid is sourced from PubChem (CID 43521411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).