1-[(6-methyl-2-pyridinyl)methyl]piperazin-2-one

C11H15N3O — CID 79260974

IUPAC1-[(6-methyl-2-pyridinyl)methyl]piperazin-2-one
SMILESCc1cccc(CN2CCNCC2=O)n1
InChIInChI=1S/C11H15N3O/c1-9-3-2-4-10(13-9)8-14-6-5-12-7-11(14)15/h2-4,12H,5-8H2,1H3
InChIKeyZDZVCODBAZOHTK-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.32
Rot. Bonds2

About 1-[(6-methyl-2-pyridinyl)methyl]piperazin-2-one

1-[(6-methyl-2-pyridinyl)methyl]piperazin-2-one (PubChem CID 79260974) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-[(6-methyl-2-pyridinyl)methyl]piperazin-2-one.

Molecular Properties

Compound Name1-[(6-methyl-2-pyridinyl)methyl]piperazin-2-one
PubChem CID79260974
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name1-[(6-methyl-2-pyridinyl)methyl]piperazin-2-one
SMILESCc1cccc(CN2CCNCC2=O)n1
InChIInChI=1S/C11H15N3O/c1-9-3-2-4-10(13-9)8-14-6-5-12-7-11(14)15/h2-4,12H,5-8H2,1H3
InChIKeyZDZVCODBAZOHTK-UHFFFAOYSA-N
XLogP0.32
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(6-methyl-2-pyridinyl)methyl]piperazin-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-[(6-methyl-2-pyridinyl)methyl]piperazin-2-one?
The IUPAC name of 1-[(6-methyl-2-pyridinyl)methyl]piperazin-2-one (CID 79260974) is 1-[(6-methyl-2-pyridinyl)methyl]piperazin-2-one.
What is the SMILES notation for 1-[(6-methyl-2-pyridinyl)methyl]piperazin-2-one?
The canonical SMILES for 1-[(6-methyl-2-pyridinyl)methyl]piperazin-2-one is Cc1cccc(CN2CCNCC2=O)n1.
What is the InChIKey of 1-[(6-methyl-2-pyridinyl)methyl]piperazin-2-one?
The InChIKey is ZDZVCODBAZOHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-9-3-2-4-10(13-9)8-14-6-5-12-7-11(14)15/h2-4,12H,5-8H2,1H3.
What are the key properties of 1-[(6-methyl-2-pyridinyl)methyl]piperazin-2-one?
1-[(6-methyl-2-pyridinyl)methyl]piperazin-2-one has a molecular weight of 205.26 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methyl-2-pyridinyl)methyl]piperazin-2-one is sourced from PubChem (CID 79260974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).