1-[2-(4-methylpiperazin-1-yl)piperidin-4-yl]ethanone

C12H23N3O — CID 22253436

IUPAC1-[2-(4-methylpiperazin-1-yl)piperidin-4-yl]ethanone
SMILESCC(=O)C1CCNC(N2CCN(C)CC2)C1
InChIInChI=1S/C12H23N3O/c1-10(16)11-3-4-13-12(9-11)15-7-5-14(2)6-8-15/h11-13H,3-9H2,1-2H3
InChIKeyXUXXEKBOUNEAFJ-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.15
Rot. Bonds2

About 1-[2-(4-methylpiperazin-1-yl)piperidin-4-yl]ethanone

1-[2-(4-methylpiperazin-1-yl)piperidin-4-yl]ethanone (PubChem CID 22253436) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-[2-(4-methylpiperazin-1-yl)piperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4-methylpiperazin-1-yl)piperidin-4-yl]ethanone
PubChem CID22253436
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name1-[2-(4-methylpiperazin-1-yl)piperidin-4-yl]ethanone
SMILESCC(=O)C1CCNC(N2CCN(C)CC2)C1
InChIInChI=1S/C12H23N3O/c1-10(16)11-3-4-13-12(9-11)15-7-5-14(2)6-8-15/h11-13H,3-9H2,1-2H3
InChIKeyXUXXEKBOUNEAFJ-UHFFFAOYSA-N
XLogP0.15
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(4-methylpiperazin-1-yl)piperidin-4-yl]ethanone 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-[2-(4-methylpiperazin-1-yl)piperidin-4-yl]ethanone?
The IUPAC name of 1-[2-(4-methylpiperazin-1-yl)piperidin-4-yl]ethanone (CID 22253436) is 1-[2-(4-methylpiperazin-1-yl)piperidin-4-yl]ethanone.
What is the SMILES notation for 1-[2-(4-methylpiperazin-1-yl)piperidin-4-yl]ethanone?
The canonical SMILES for 1-[2-(4-methylpiperazin-1-yl)piperidin-4-yl]ethanone is CC(=O)C1CCNC(N2CCN(C)CC2)C1.
What is the InChIKey of 1-[2-(4-methylpiperazin-1-yl)piperidin-4-yl]ethanone?
The InChIKey is XUXXEKBOUNEAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-10(16)11-3-4-13-12(9-11)15-7-5-14(2)6-8-15/h11-13H,3-9H2,1-2H3.
What are the key properties of 1-[2-(4-methylpiperazin-1-yl)piperidin-4-yl]ethanone?
1-[2-(4-methylpiperazin-1-yl)piperidin-4-yl]ethanone has a molecular weight of 225.34 g/mol, XLogP of 0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylpiperazin-1-yl)piperidin-4-yl]ethanone is sourced from PubChem (CID 22253436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).