2-[6-methyl-2-oxo-3-(2-piperidin-2-ylethylamino)pyrazin-1-yl]ethyl acetate

C16H26N4O3 — CID 58869628

IUPAC2-[6-methyl-2-oxo-3-(2-piperidin-2-ylethylamino)pyrazin-1-yl]ethyl acetate
SMILESCC(=O)OCCn1c(C)cnc(NCCC2CCCCN2)c1=O
InChIInChI=1S/C16H26N4O3/c1-12-11-19-15(16(22)20(12)9-10-23-13(2)21)18-8-6-14-5-3-4-7-17-14/h11,14,17H,3-10H2,1-2H3,(H,18,19)
InChIKeyFARUANLQOAWKJQ-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.06
Rot. Bonds7

About 2-[6-methyl-2-oxo-3-(2-piperidin-2-ylethylamino)pyrazin-1-yl]ethyl acetate

2-[6-methyl-2-oxo-3-(2-piperidin-2-ylethylamino)pyrazin-1-yl]ethyl acetate (PubChem CID 58869628) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-[6-methyl-2-oxo-3-(2-piperidin-2-ylethylamino)pyrazin-1-yl]ethyl acetate.

Molecular Properties

Compound Name2-[6-methyl-2-oxo-3-(2-piperidin-2-ylethylamino)pyrazin-1-yl]ethyl acetate
PubChem CID58869628
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Name2-[6-methyl-2-oxo-3-(2-piperidin-2-ylethylamino)pyrazin-1-yl]ethyl acetate
SMILESCC(=O)OCCn1c(C)cnc(NCCC2CCCCN2)c1=O
InChIInChI=1S/C16H26N4O3/c1-12-11-19-15(16(22)20(12)9-10-23-13(2)21)18-8-6-14-5-3-4-7-17-14/h11,14,17H,3-10H2,1-2H3,(H,18,19)
InChIKeyFARUANLQOAWKJQ-UHFFFAOYSA-N
XLogP1.06
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[6-methyl-2-oxo-3-(2-piperidin-2-ylethylamino)pyrazin-1-yl]ethyl acetate?
The IUPAC name of 2-[6-methyl-2-oxo-3-(2-piperidin-2-ylethylamino)pyrazin-1-yl]ethyl acetate (CID 58869628) is 2-[6-methyl-2-oxo-3-(2-piperidin-2-ylethylamino)pyrazin-1-yl]ethyl acetate.
What is the SMILES notation for 2-[6-methyl-2-oxo-3-(2-piperidin-2-ylethylamino)pyrazin-1-yl]ethyl acetate?
The canonical SMILES for 2-[6-methyl-2-oxo-3-(2-piperidin-2-ylethylamino)pyrazin-1-yl]ethyl acetate is CC(=O)OCCn1c(C)cnc(NCCC2CCCCN2)c1=O.
What is the InChIKey of 2-[6-methyl-2-oxo-3-(2-piperidin-2-ylethylamino)pyrazin-1-yl]ethyl acetate?
The InChIKey is FARUANLQOAWKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-12-11-19-15(16(22)20(12)9-10-23-13(2)21)18-8-6-14-5-3-4-7-17-14/h11,14,17H,3-10H2,1-2H3,(H,18,19).
What are the key properties of 2-[6-methyl-2-oxo-3-(2-piperidin-2-ylethylamino)pyrazin-1-yl]ethyl acetate?
2-[6-methyl-2-oxo-3-(2-piperidin-2-ylethylamino)pyrazin-1-yl]ethyl acetate has a molecular weight of 322.41 g/mol, XLogP of 1.06, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methyl-2-oxo-3-(2-piperidin-2-ylethylamino)pyrazin-1-yl]ethyl acetate is sourced from PubChem (CID 58869628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).