5-methyl-3-(6-methyl-3-pyridinyl)piperazin-2-one

C11H15N3O — CID 112545941

IUPAC5-methyl-3-(6-methyl-3-pyridinyl)piperazin-2-one
SMILESCc1ccc(C2NC(C)CNC2=O)cn1
InChIInChI=1S/C11H15N3O/c1-7-3-4-9(6-12-7)10-11(15)13-5-8(2)14-10/h3-4,6,8,10,14H,5H2,1-2H3,(H,13,15)
InChIKeyCAVCAINWEXUUBU-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.54
Rot. Bonds1

About 5-methyl-3-(6-methyl-3-pyridinyl)piperazin-2-one

5-methyl-3-(6-methyl-3-pyridinyl)piperazin-2-one (PubChem CID 112545941) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 5-methyl-3-(6-methyl-3-pyridinyl)piperazin-2-one.

Molecular Properties

Compound Name5-methyl-3-(6-methyl-3-pyridinyl)piperazin-2-one
PubChem CID112545941
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name5-methyl-3-(6-methyl-3-pyridinyl)piperazin-2-one
SMILESCc1ccc(C2NC(C)CNC2=O)cn1
InChIInChI=1S/C11H15N3O/c1-7-3-4-9(6-12-7)10-11(15)13-5-8(2)14-10/h3-4,6,8,10,14H,5H2,1-2H3,(H,13,15)
InChIKeyCAVCAINWEXUUBU-UHFFFAOYSA-N
XLogP0.54
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(6-methyl-3-pyridinyl)piperazin-2-one?
The IUPAC name of 5-methyl-3-(6-methyl-3-pyridinyl)piperazin-2-one (CID 112545941) is 5-methyl-3-(6-methyl-3-pyridinyl)piperazin-2-one.
What is the SMILES notation for 5-methyl-3-(6-methyl-3-pyridinyl)piperazin-2-one?
The canonical SMILES for 5-methyl-3-(6-methyl-3-pyridinyl)piperazin-2-one is Cc1ccc(C2NC(C)CNC2=O)cn1.
What is the InChIKey of 5-methyl-3-(6-methyl-3-pyridinyl)piperazin-2-one?
The InChIKey is CAVCAINWEXUUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-7-3-4-9(6-12-7)10-11(15)13-5-8(2)14-10/h3-4,6,8,10,14H,5H2,1-2H3,(H,13,15).
What are the key properties of 5-methyl-3-(6-methyl-3-pyridinyl)piperazin-2-one?
5-methyl-3-(6-methyl-3-pyridinyl)piperazin-2-one has a molecular weight of 205.26 g/mol, XLogP of 0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(6-methyl-3-pyridinyl)piperazin-2-one is sourced from PubChem (CID 112545941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).