2-[1-(4-cyclopropyl-3-oxopyrazin-2-yl)piperidin-4-yl]oxyacetic acid

C14H19N3O4 — CID 63902780

IUPAC2-[1-(4-cyclopropyl-3-oxopyrazin-2-yl)piperidin-4-yl]oxyacetic acid
SMILESO=C(O)COC1CCN(c2nccn(C3CC3)c2=O)CC1
InChIInChI=1S/C14H19N3O4/c18-12(19)9-21-11-3-6-16(7-4-11)13-14(20)17(8-5-15-13)10-1-2-10/h5,8,10-11H,1-4,6-7,9H2,(H,18,19)
InChIKeyFOAVRAFXWUWKER-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.65
Rot. Bonds5

About 2-[1-(4-cyclopropyl-3-oxopyrazin-2-yl)piperidin-4-yl]oxyacetic acid

2-[1-(4-cyclopropyl-3-oxopyrazin-2-yl)piperidin-4-yl]oxyacetic acid (PubChem CID 63902780) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[1-(4-cyclopropyl-3-oxopyrazin-2-yl)piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(4-cyclopropyl-3-oxopyrazin-2-yl)piperidin-4-yl]oxyacetic acid
PubChem CID63902780
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name2-[1-(4-cyclopropyl-3-oxopyrazin-2-yl)piperidin-4-yl]oxyacetic acid
SMILESO=C(O)COC1CCN(c2nccn(C3CC3)c2=O)CC1
InChIInChI=1S/C14H19N3O4/c18-12(19)9-21-11-3-6-16(7-4-11)13-14(20)17(8-5-15-13)10-1-2-10/h5,8,10-11H,1-4,6-7,9H2,(H,18,19)
InChIKeyFOAVRAFXWUWKER-UHFFFAOYSA-N
XLogP0.65
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-4-yl]oxyacetic acid
CID 114570494
3-(4-bromopiperidin-1-yl)-1-cyclopropylpyrazin-2-one
CID 80674441
1-(4-cyclopropyl-3-oxopyrazin-2-yl)-4-ethylpiperidine-4-carboxylic acid
CID 63125995
3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-cyclopropylpyrazin-2-one
CID 154580769
3-[4-(2-aminoethyl)piperidin-1-yl]-1-cyclopropylpyrazin-2-one
CID 62928895
1-(4-cyclopropyl-3-oxopyrazin-2-yl)azepane-2-carboxylic acid
CID 64562162
1-cyclopropyl-3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyrazin-2-one
CID 115917389
1-(4-cyclopropyl-3-oxopyrazin-2-yl)-3-ethylpyrrolidine-3-carboxylic acid
CID 63147237
2-[1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperidin-4-yl]oxyacetic acid
CID 63905253
2-[1-(1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxyacetic acid
CID 65270887
2-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]oxyacetic acid
CID 55250913
1-cyclopropyl-3-[4-[(4-propan-2-ylphenyl)methyl]piperidin-1-yl]pyrazin-2-one
CID 133473187

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-cyclopropyl-3-oxopyrazin-2-yl)piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-(4-cyclopropyl-3-oxopyrazin-2-yl)piperidin-4-yl]oxyacetic acid (CID 63902780) is 2-[1-(4-cyclopropyl-3-oxopyrazin-2-yl)piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(4-cyclopropyl-3-oxopyrazin-2-yl)piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(4-cyclopropyl-3-oxopyrazin-2-yl)piperidin-4-yl]oxyacetic acid is O=C(O)COC1CCN(c2nccn(C3CC3)c2=O)CC1.
What is the InChIKey of 2-[1-(4-cyclopropyl-3-oxopyrazin-2-yl)piperidin-4-yl]oxyacetic acid?
The InChIKey is FOAVRAFXWUWKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c18-12(19)9-21-11-3-6-16(7-4-11)13-14(20)17(8-5-15-13)10-1-2-10/h5,8,10-11H,1-4,6-7,9H2,(H,18,19).
What are the key properties of 2-[1-(4-cyclopropyl-3-oxopyrazin-2-yl)piperidin-4-yl]oxyacetic acid?
2-[1-(4-cyclopropyl-3-oxopyrazin-2-yl)piperidin-4-yl]oxyacetic acid has a molecular weight of 293.32 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-cyclopropyl-3-oxopyrazin-2-yl)piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 63902780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).