3-[4-(ethylamino)piperidin-1-yl]-1-methylpyrazin-2-one

C12H20N4O — CID 55131171

IUPAC3-[4-(ethylamino)piperidin-1-yl]-1-methylpyrazin-2-one
SMILESCCNC1CCN(c2nccn(C)c2=O)CC1
InChIInChI=1S/C12H20N4O/c1-3-13-10-4-7-16(8-5-10)11-12(17)15(2)9-6-14-11/h6,9-10,13H,3-5,7-8H2,1-2H3
InChIKeyYGIGSTSWBMXONB-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.36
Rot. Bonds3

About 3-[4-(ethylamino)piperidin-1-yl]-1-methylpyrazin-2-one

3-[4-(ethylamino)piperidin-1-yl]-1-methylpyrazin-2-one (PubChem CID 55131171) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 3-[4-(ethylamino)piperidin-1-yl]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[4-(ethylamino)piperidin-1-yl]-1-methylpyrazin-2-one
PubChem CID55131171
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name3-[4-(ethylamino)piperidin-1-yl]-1-methylpyrazin-2-one
SMILESCCNC1CCN(c2nccn(C)c2=O)CC1
InChIInChI=1S/C12H20N4O/c1-3-13-10-4-7-16(8-5-10)11-12(17)15(2)9-6-14-11/h6,9-10,13H,3-5,7-8H2,1-2H3
InChIKeyYGIGSTSWBMXONB-UHFFFAOYSA-N
XLogP0.36
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[4-(ethylamino)piperidin-1-yl]-1-methylpyrazin-2-one 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 3-[4-(ethylamino)piperidin-1-yl]-1-methylpyrazin-2-one?
The IUPAC name of 3-[4-(ethylamino)piperidin-1-yl]-1-methylpyrazin-2-one (CID 55131171) is 3-[4-(ethylamino)piperidin-1-yl]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[4-(ethylamino)piperidin-1-yl]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[4-(ethylamino)piperidin-1-yl]-1-methylpyrazin-2-one is CCNC1CCN(c2nccn(C)c2=O)CC1.
What is the InChIKey of 3-[4-(ethylamino)piperidin-1-yl]-1-methylpyrazin-2-one?
The InChIKey is YGIGSTSWBMXONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-3-13-10-4-7-16(8-5-10)11-12(17)15(2)9-6-14-11/h6,9-10,13H,3-5,7-8H2,1-2H3.
What are the key properties of 3-[4-(ethylamino)piperidin-1-yl]-1-methylpyrazin-2-one?
3-[4-(ethylamino)piperidin-1-yl]-1-methylpyrazin-2-one has a molecular weight of 236.32 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(ethylamino)piperidin-1-yl]-1-methylpyrazin-2-one is sourced from PubChem (CID 55131171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).