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

C12H15N3O4 — CID 62690411

IUPAC2-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(C(=O)c2c[nH]c(=O)cn2)C1
InChIInChI=1S/C12H15N3O4/c16-10-6-13-9(5-14-10)12(19)15-3-1-2-8(7-15)4-11(17)18/h5-6,8H,1-4,7H2,(H,14,16)(H,17,18)
InChIKeyCYPXZKZEYQXHMI-UHFFFAOYSA-N
MW265.27 g/mol
LogP0.10
Rot. Bonds3

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

2-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-3-yl]acetic acid (PubChem CID 62690411) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 2-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-3-yl]acetic acid
PubChem CID62690411
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name2-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(C(=O)c2c[nH]c(=O)cn2)C1
InChIInChI=1S/C12H15N3O4/c16-10-6-13-9(5-14-10)12(19)15-3-1-2-8(7-15)4-11(17)18/h5-6,8H,1-4,7H2,(H,14,16)(H,17,18)
InChIKeyCYPXZKZEYQXHMI-UHFFFAOYSA-N
XLogP0.10
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(6-oxo-1H-pyrazine-3-carbonyl)amino]hexanoic acid
CID 28788663
1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-4-carboxylic acid
CID 28789349
(3R)-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-3-carboxylic acid
CID 28789756
(3S)-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-3-carboxylic acid
CID 28789758
(2S)-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-2-carboxylic acid
CID 28789884
(2R)-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-2-carboxylic acid
CID 28789886
1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 43162945
1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-3-carboxylic acid
CID 43211092
1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-2-carboxylic acid
CID 43211109
methyl 1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-4-carboxylate
CID 43623609
2-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-2-yl]acetic acid
CID 54899608
2-[1-(2-Oxo-1,3-dihydroimidazole-4-carbonyl)piperidin-3-yl]acetic acid
CID 55105286

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-3-yl]acetic acid (CID 62690411) is 2-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-3-yl]acetic acid is O=C(O)CC1CCCN(C(=O)c2c[nH]c(=O)cn2)C1.
What is the InChIKey of 2-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-3-yl]acetic acid?
The InChIKey is CYPXZKZEYQXHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c16-10-6-13-9(5-14-10)12(19)15-3-1-2-8(7-15)4-11(17)18/h5-6,8H,1-4,7H2,(H,14,16)(H,17,18).
What are the key properties of 2-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-3-yl]acetic acid?
2-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-3-yl]acetic acid has a molecular weight of 265.27 g/mol, XLogP of 0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-3-yl]acetic acid is sourced from PubChem (CID 62690411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).