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

C12H15N3O4 — CID 79615807

IUPAC2-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)c2c[nH]c(=O)cn2)CC1
InChIInChI=1S/C12H15N3O4/c16-10-7-13-9(6-14-10)12(19)15-3-1-8(2-4-15)5-11(17)18/h6-8H,1-5H2,(H,14,16)(H,17,18)
InChIKeyCRYIXUKRNXJWGM-UHFFFAOYSA-N
MW265.27 g/mol
LogP0.10
Rot. Bonds3

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

2-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]acetic acid (PubChem CID 79615807) 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-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]acetic acid
PubChem CID79615807
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name2-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)c2c[nH]c(=O)cn2)CC1
InChIInChI=1S/C12H15N3O4/c16-10-7-13-9(6-14-10)12(19)15-3-1-8(2-4-15)5-11(17)18/h6-8H,1-5H2,(H,14,16)(H,17,18)
InChIKeyCRYIXUKRNXJWGM-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

Analyze 2-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(6-oxo-1H-pyrazine-3-carbonyl)azetidin-3-yl]acetic acid
CID 64605803
5-(3-aminopyrrolidine-1-carbonyl)-1H-pyrazin-2-one
CID 62067809
2-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]acetic acid
CID 78980909
2-[1-(5-methylpyrazine-2-carbonyl)azepan-4-yl]acetic acid
CID 120950013
2-[(4S)-1-(5-methylpyrazine-2-carbonyl)azepan-4-yl]acetic acid
CID 129489418
5-(3-hydroxy-4-methylpiperidine-1-carbonyl)-1H-pyrazin-2-one
CID 113348340
2-[1-(pyridine-2-carbonyl)piperidin-4-yl]acetic acid
CID 79614951
5-(4-methylpiperazine-1-carbonyl)-1H-pyrazin-2-one
CID 110476630
5-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyrazin-2-one
CID 63259107
5-(4-amino-3-methylpiperidine-1-carbonyl)-1H-pyrazin-2-one
CID 79880596
2-[1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidin-4-yl]acetic acid
CID 79615225
5-[3-(aminomethyl)-4-methylpiperidine-1-carbonyl]-1H-pyrazin-2-one
CID 114960606

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]acetic acid (CID 79615807) is 2-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]acetic acid is O=C(O)CC1CCN(C(=O)c2c[nH]c(=O)cn2)CC1.
What is the InChIKey of 2-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]acetic acid?
The InChIKey is CRYIXUKRNXJWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c16-10-7-13-9(6-14-10)12(19)15-3-1-8(2-4-15)5-11(17)18/h6-8H,1-5H2,(H,14,16)(H,17,18).
What are the key properties of 2-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]acetic acid?
2-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-4-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-4-yl]acetic acid is sourced from PubChem (CID 79615807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).