(2-amino-2-oxoethyl) 3-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]propanoate

C16H24N4O3 — CID 58032791

IUPAC(2-amino-2-oxoethyl) 3-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]propanoate
SMILESCc1cnc(C)c(N2CCC(CCC(=O)OCC(N)=O)CC2)n1
InChIInChI=1S/C16H24N4O3/c1-11-9-18-12(2)16(19-11)20-7-5-13(6-8-20)3-4-15(22)23-10-14(17)21/h9,13H,3-8,10H2,1-2H3,(H2,17,21)
InChIKeyWYZPORMKDOFDLJ-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.12
Rot. Bonds6

About (2-amino-2-oxoethyl) 3-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]propanoate

(2-amino-2-oxoethyl) 3-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]propanoate (PubChem CID 58032791) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) 3-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]propanoate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) 3-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]propanoate
PubChem CID58032791
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name(2-amino-2-oxoethyl) 3-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]propanoate
SMILESCc1cnc(C)c(N2CCC(CCC(=O)OCC(N)=O)CC2)n1
InChIInChI=1S/C16H24N4O3/c1-11-9-18-12(2)16(19-11)20-7-5-13(6-8-20)3-4-15(22)23-10-14(17)21/h9,13H,3-8,10H2,1-2H3,(H2,17,21)
InChIKeyWYZPORMKDOFDLJ-UHFFFAOYSA-N
XLogP1.12
TPSA98.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2-amino-2-oxoethyl) 3-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) 3-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]propanoate?
The IUPAC name of (2-amino-2-oxoethyl) 3-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]propanoate (CID 58032791) is (2-amino-2-oxoethyl) 3-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]propanoate.
What is the SMILES notation for (2-amino-2-oxoethyl) 3-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]propanoate?
The canonical SMILES for (2-amino-2-oxoethyl) 3-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]propanoate is Cc1cnc(C)c(N2CCC(CCC(=O)OCC(N)=O)CC2)n1.
What is the InChIKey of (2-amino-2-oxoethyl) 3-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]propanoate?
The InChIKey is WYZPORMKDOFDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-11-9-18-12(2)16(19-11)20-7-5-13(6-8-20)3-4-15(22)23-10-14(17)21/h9,13H,3-8,10H2,1-2H3,(H2,17,21).
What are the key properties of (2-amino-2-oxoethyl) 3-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]propanoate?
(2-amino-2-oxoethyl) 3-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]propanoate has a molecular weight of 320.39 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) 3-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]propanoate is sourced from PubChem (CID 58032791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).