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

C13H17N3O4 — CID 62216451

IUPAC3-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]propanoic acid
SMILESO=C(O)CCC1CCN(C(=O)c2c[nH]c(=O)cn2)CC1
InChIInChI=1S/C13H17N3O4/c17-11-8-14-10(7-15-11)13(20)16-5-3-9(4-6-16)1-2-12(18)19/h7-9H,1-6H2,(H,15,17)(H,18,19)
InChIKeyVAWVSGQGBQIEET-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.49
Rot. Bonds4

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

3-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]propanoic acid (PubChem CID 62216451) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 3-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]propanoic acid
PubChem CID62216451
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name3-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]propanoic acid
SMILESO=C(O)CCC1CCN(C(=O)c2c[nH]c(=O)cn2)CC1
InChIInChI=1S/C13H17N3O4/c17-11-8-14-10(7-15-11)13(20)16-5-3-9(4-6-16)1-2-12(18)19/h7-9H,1-6H2,(H,15,17)(H,18,19)
InChIKeyVAWVSGQGBQIEET-UHFFFAOYSA-N
XLogP0.49
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]propanoic acid (CID 62216451) is 3-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]propanoic acid is O=C(O)CCC1CCN(C(=O)c2c[nH]c(=O)cn2)CC1.
What is the InChIKey of 3-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]propanoic acid?
The InChIKey is VAWVSGQGBQIEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c17-11-8-14-10(7-15-11)13(20)16-5-3-9(4-6-16)1-2-12(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]propanoic acid?
3-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]propanoic acid has a molecular weight of 279.30 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]propanoic acid is sourced from PubChem (CID 62216451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).