1-methyl-3-[(1-methylpiperidin-3-yl)methylamino]pyrazin-2-one

C12H20N4O — CID 55133105

IUPAC1-methyl-3-[(1-methylpiperidin-3-yl)methylamino]pyrazin-2-one
SMILESCN1CCCC(CNc2nccn(C)c2=O)C1
InChIInChI=1S/C12H20N4O/c1-15-6-3-4-10(9-15)8-14-11-12(17)16(2)7-5-13-11/h5,7,10H,3-4,6,8-9H2,1-2H3,(H,13,14)
InChIKeyQXWYZTWMAATKGY-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.53
Rot. Bonds3

About 1-methyl-3-[(1-methylpiperidin-3-yl)methylamino]pyrazin-2-one

1-methyl-3-[(1-methylpiperidin-3-yl)methylamino]pyrazin-2-one (PubChem CID 55133105) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-methyl-3-[(1-methylpiperidin-3-yl)methylamino]pyrazin-2-one.

Molecular Properties

Compound Name1-methyl-3-[(1-methylpiperidin-3-yl)methylamino]pyrazin-2-one
PubChem CID55133105
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name1-methyl-3-[(1-methylpiperidin-3-yl)methylamino]pyrazin-2-one
SMILESCN1CCCC(CNc2nccn(C)c2=O)C1
InChIInChI=1S/C12H20N4O/c1-15-6-3-4-10(9-15)8-14-11-12(17)16(2)7-5-13-11/h5,7,10H,3-4,6,8-9H2,1-2H3,(H,13,14)
InChIKeyQXWYZTWMAATKGY-UHFFFAOYSA-N
XLogP0.53
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 ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-methyl-3-[(1-methylpiperidin-3-yl)methylamino]pyrazin-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 1-methyl-3-[(1-methylpiperidin-3-yl)methylamino]pyrazin-2-one?
The IUPAC name of 1-methyl-3-[(1-methylpiperidin-3-yl)methylamino]pyrazin-2-one (CID 55133105) is 1-methyl-3-[(1-methylpiperidin-3-yl)methylamino]pyrazin-2-one.
What is the SMILES notation for 1-methyl-3-[(1-methylpiperidin-3-yl)methylamino]pyrazin-2-one?
The canonical SMILES for 1-methyl-3-[(1-methylpiperidin-3-yl)methylamino]pyrazin-2-one is CN1CCCC(CNc2nccn(C)c2=O)C1.
What is the InChIKey of 1-methyl-3-[(1-methylpiperidin-3-yl)methylamino]pyrazin-2-one?
The InChIKey is QXWYZTWMAATKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-15-6-3-4-10(9-15)8-14-11-12(17)16(2)7-5-13-11/h5,7,10H,3-4,6,8-9H2,1-2H3,(H,13,14).
What are the key properties of 1-methyl-3-[(1-methylpiperidin-3-yl)methylamino]pyrazin-2-one?
1-methyl-3-[(1-methylpiperidin-3-yl)methylamino]pyrazin-2-one has a molecular weight of 236.32 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(1-methylpiperidin-3-yl)methylamino]pyrazin-2-one is sourced from PubChem (CID 55133105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).