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

C13H17N3O5 — CID 63877383

IUPAC3-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]oxypropanoic acid
SMILESO=C(O)CCOC1CCN(C(=O)c2c[nH]c(=O)cn2)CC1
InChIInChI=1S/C13H17N3O5/c17-11-8-14-10(7-15-11)13(20)16-4-1-9(2-5-16)21-6-3-12(18)19/h7-9H,1-6H2,(H,15,17)(H,18,19)
InChIKeyUVRQXIXIYMXAJP-UHFFFAOYSA-N
MW295.29 g/mol
LogP-0.13
Rot. Bonds5

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

3-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]oxypropanoic acid (PubChem CID 63877383) has the molecular formula C13H17N3O5 and a molecular weight of 295.29 g/mol. Its IUPAC name is 3-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]oxypropanoic acid.

Molecular Properties

Compound Name3-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]oxypropanoic acid
PubChem CID63877383
Molecular FormulaC13H17N3O5
Molecular Weight295.29 g/mol
Exact Mass295.12
IUPAC Name3-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]oxypropanoic acid
SMILESO=C(O)CCOC1CCN(C(=O)c2c[nH]c(=O)cn2)CC1
InChIInChI=1S/C13H17N3O5/c17-11-8-14-10(7-15-11)13(20)16-4-1-9(2-5-16)21-6-3-12(18)19/h7-9H,1-6H2,(H,15,17)(H,18,19)
InChIKeyUVRQXIXIYMXAJP-UHFFFAOYSA-N
XLogP-0.13
TPSA112.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]oxypropanoic acid?
The IUPAC name of 3-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]oxypropanoic acid (CID 63877383) is 3-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]oxypropanoic acid.
What is the SMILES notation for 3-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]oxypropanoic acid?
The canonical SMILES for 3-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]oxypropanoic acid is O=C(O)CCOC1CCN(C(=O)c2c[nH]c(=O)cn2)CC1.
What is the InChIKey of 3-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]oxypropanoic acid?
The InChIKey is UVRQXIXIYMXAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5/c17-11-8-14-10(7-15-11)13(20)16-4-1-9(2-5-16)21-6-3-12(18)19/h7-9H,1-6H2,(H,15,17)(H,18,19).
What are the key properties of 3-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]oxypropanoic acid?
3-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]oxypropanoic acid has a molecular weight of 295.29 g/mol, XLogP of -0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]oxypropanoic acid is sourced from PubChem (CID 63877383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).