1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-4-carboxylic acid

C11H13N3O4 — CID 28789349

IUPAC1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2c[nH]c(=O)cn2)CC1
InChIInChI=1S/C11H13N3O4/c15-9-6-12-8(5-13-9)10(16)14-3-1-7(2-4-14)11(17)18/h5-7H,1-4H2,(H,13,15)(H,17,18)
InChIKeyNXPOHFTWUHJCJM-UHFFFAOYSA-N
MW251.24 g/mol
LogP-0.29
Rot. Bonds2

About 1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-4-carboxylic acid

1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-4-carboxylic acid (PubChem CID 28789349) has the molecular formula C11H13N3O4 and a molecular weight of 251.24 g/mol. Its IUPAC name is 1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-4-carboxylic acid
PubChem CID28789349
Molecular FormulaC11H13N3O4
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2c[nH]c(=O)cn2)CC1
InChIInChI=1S/C11H13N3O4/c15-9-6-12-8(5-13-9)10(16)14-3-1-7(2-4-14)11(17)18/h5-7H,1-4H2,(H,13,15)(H,17,18)
InChIKeyNXPOHFTWUHJCJM-UHFFFAOYSA-N
XLogP-0.29
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-4-carboxylic acid (CID 28789349) is 1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)c2c[nH]c(=O)cn2)CC1.
What is the InChIKey of 1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is NXPOHFTWUHJCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4/c15-9-6-12-8(5-13-9)10(16)14-3-1-7(2-4-14)11(17)18/h5-7H,1-4H2,(H,13,15)(H,17,18).
What are the key properties of 1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-4-carboxylic acid?
1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 251.24 g/mol, XLogP of -0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 28789349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).