2-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-4-yl]oxyacetic acid

C11H15N3O4 — CID 114570494

IUPAC2-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-4-yl]oxyacetic acid
SMILESO=C(O)COC1CCN(c2ncc[nH]c2=O)CC1
InChIInChI=1S/C11H15N3O4/c15-9(16)7-18-8-1-5-14(6-2-8)10-11(17)13-4-3-12-10/h3-4,8H,1-2,5-7H2,(H,13,17)(H,15,16)
InChIKeyXJKDAIOFJKHJOO-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.16
Rot. Bonds4

About 2-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-4-yl]oxyacetic acid

2-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-4-yl]oxyacetic acid (PubChem CID 114570494) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-4-yl]oxyacetic acid
PubChem CID114570494
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name2-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-4-yl]oxyacetic acid
SMILESO=C(O)COC1CCN(c2ncc[nH]c2=O)CC1
InChIInChI=1S/C11H15N3O4/c15-9(16)7-18-8-1-5-14(6-2-8)10-11(17)13-4-3-12-10/h3-4,8H,1-2,5-7H2,(H,13,17)(H,15,16)
InChIKeyXJKDAIOFJKHJOO-UHFFFAOYSA-N
XLogP-0.16
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-ethoxypiperidin-1-yl)-1H-pyrazin-2-one
CID 115657150
2-[1-(4-cyclopropyl-3-oxopyrazin-2-yl)piperidin-4-yl]oxyacetic acid
CID 63902780
ethyl 1-(2-oxo-1H-pyrazin-3-yl)piperidine-4-carboxylate
CID 115650147
3-(4-methylpiperidin-1-yl)-1H-pyrazin-2-one
CID 115650167
3-(4-benzylpiperidin-1-yl)-1H-pyrazin-2-one
CID 115650144
2-[1-(1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxyacetic acid
CID 65270887
3-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-1H-pyrazin-2-one
CID 114571263
3-(4-methylazepan-1-yl)-1H-pyrazin-2-one
CID 115650237
3-[(3S)-3-aminopyrrolidin-1-yl]-1H-pyrazin-2-one
CID 129394339
3-[4-(1-bromoethyl)piperidin-1-yl]-1H-pyrazin-2-one
CID 106838734
2-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]oxyacetic acid
CID 55250913
2-[1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperidin-4-yl]oxyacetic acid
CID 63905253

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-4-yl]oxyacetic acid (CID 114570494) is 2-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-4-yl]oxyacetic acid is O=C(O)COC1CCN(c2ncc[nH]c2=O)CC1.
What is the InChIKey of 2-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-4-yl]oxyacetic acid?
The InChIKey is XJKDAIOFJKHJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c15-9(16)7-18-8-1-5-14(6-2-8)10-11(17)13-4-3-12-10/h3-4,8H,1-2,5-7H2,(H,13,17)(H,15,16).
What are the key properties of 2-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-4-yl]oxyacetic acid?
2-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-4-yl]oxyacetic acid has a molecular weight of 253.26 g/mol, XLogP of -0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 114570494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).