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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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).