3-methyl-1-(pyridin-2-ylmethyl)piperazin-2-one

C11H15N3O — CID 63606119

IUPAC3-methyl-1-(pyridin-2-ylmethyl)piperazin-2-one
SMILESCC1NCCN(Cc2ccccn2)C1=O
InChIInChI=1S/C11H15N3O/c1-9-11(15)14(7-6-12-9)8-10-4-2-3-5-13-10/h2-5,9,12H,6-8H2,1H3
InChIKeyREGIENFTCNHSKH-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.40
Rot. Bonds2

About 3-methyl-1-(pyridin-2-ylmethyl)piperazin-2-one

3-methyl-1-(pyridin-2-ylmethyl)piperazin-2-one (PubChem CID 63606119) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-methyl-1-(pyridin-2-ylmethyl)piperazin-2-one.

Molecular Properties

Compound Name3-methyl-1-(pyridin-2-ylmethyl)piperazin-2-one
PubChem CID63606119
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name3-methyl-1-(pyridin-2-ylmethyl)piperazin-2-one
SMILESCC1NCCN(Cc2ccccn2)C1=O
InChIInChI=1S/C11H15N3O/c1-9-11(15)14(7-6-12-9)8-10-4-2-3-5-13-10/h2-5,9,12H,6-8H2,1H3
InChIKeyREGIENFTCNHSKH-UHFFFAOYSA-N
XLogP0.40
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 ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methyl-1-(pyridin-2-ylmethyl)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

Related Compounds

3-methyl-1-(pyridin-2-ylmethyl)-1,4-diazocan-2-one
CID 117016241
3-methyl-1-(pyridin-2-ylmethyl)piperazine-2,6-dione
CID 66074326
3-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazin-2-one
CID 82877165
(3R)-3-methyl-1-[(4-methylphenyl)methyl]piperazin-2-one
CID 26365979
1-[(2,6-difluorophenyl)methyl]-3-methylpiperazin-2-one
CID 114933249
3-methyl-1-(pyridin-2-ylmethyl)piperazine;hydrochloride
CID 71639374
3-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperazin-2-one
CID 64777692
5-methyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one
CID 20590041
3-methyl-1-pyridin-2-yl-1,4-diazepan-2-one
CID 115102065
3-(methylamino)-4-methylidene-1-(pyridin-2-ylmethyl)azepan-2-one
CID 89340854
3-methyl-1-(pyridin-2-ylmethyl)pyrrolidine-2,5-dione
CID 102582008
5-(pyridin-2-ylmethyl)-1,2,3,4-tetrahydro-2,5-benzodiazocin-6-one
CID 117016029

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(pyridin-2-ylmethyl)piperazin-2-one?
The IUPAC name of 3-methyl-1-(pyridin-2-ylmethyl)piperazin-2-one (CID 63606119) is 3-methyl-1-(pyridin-2-ylmethyl)piperazin-2-one.
What is the SMILES notation for 3-methyl-1-(pyridin-2-ylmethyl)piperazin-2-one?
The canonical SMILES for 3-methyl-1-(pyridin-2-ylmethyl)piperazin-2-one is CC1NCCN(Cc2ccccn2)C1=O.
What is the InChIKey of 3-methyl-1-(pyridin-2-ylmethyl)piperazin-2-one?
The InChIKey is REGIENFTCNHSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-9-11(15)14(7-6-12-9)8-10-4-2-3-5-13-10/h2-5,9,12H,6-8H2,1H3.
What are the key properties of 3-methyl-1-(pyridin-2-ylmethyl)piperazin-2-one?
3-methyl-1-(pyridin-2-ylmethyl)piperazin-2-one has a molecular weight of 205.26 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(pyridin-2-ylmethyl)piperazin-2-one is sourced from PubChem (CID 63606119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).