3-[(1,4-dimethylpiperazin-2-yl)methylamino]cyclopent-2-en-1-one

C12H21N3O — CID 104788526

IUPAC3-[(1,4-dimethylpiperazin-2-yl)methylamino]cyclopent-2-en-1-one
SMILESCN1CCN(C)C(CNC2=CC(=O)CC2)C1
InChIInChI=1S/C12H21N3O/c1-14-5-6-15(2)11(9-14)8-13-10-3-4-12(16)7-10/h7,11,13H,3-6,8-9H2,1-2H3
InChIKeyBWKNWFKGSULWHN-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.07
Rot. Bonds3

About 3-[(1,4-dimethylpiperazin-2-yl)methylamino]cyclopent-2-en-1-one

3-[(1,4-dimethylpiperazin-2-yl)methylamino]cyclopent-2-en-1-one (PubChem CID 104788526) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-[(1,4-dimethylpiperazin-2-yl)methylamino]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-[(1,4-dimethylpiperazin-2-yl)methylamino]cyclopent-2-en-1-one
PubChem CID104788526
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name3-[(1,4-dimethylpiperazin-2-yl)methylamino]cyclopent-2-en-1-one
SMILESCN1CCN(C)C(CNC2=CC(=O)CC2)C1
InChIInChI=1S/C12H21N3O/c1-14-5-6-15(2)11(9-14)8-13-10-3-4-12(16)7-10/h7,11,13H,3-6,8-9H2,1-2H3
InChIKeyBWKNWFKGSULWHN-UHFFFAOYSA-N
XLogP0.07
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(1,4-dimethylpiperazin-2-yl)methylamino]cyclopent-2-en-1-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-(4,4-Dimethylpiperazin-4-ium-1-yl)cyclopent-2-en-1-one iodide
CID 10958231
3-(4-Methylpiperazin-1-yl)cyclopent-2-en-1-one
CID 11063014
3-(4,4-Dimethylpiperazin-4-ium-1-yl)cyclopent-2-en-1-one
CID 10958232
3-[(2,2,6,6-Tetramethylpiperidin-4-yl)amino]cyclopent-2-en-1-one
CID 5336435
3-Piperazin-1-ylcyclohex-2-en-1-one
CID 13520902
3-[4-(2-Methylpropyl)piperazin-1-yl]cyclopent-2-en-1-one
CID 59603417
1-[1-(2-Aminopropyl)-2-ethyl-2,3-dihydropyrrol-5-yl]hexan-3-one
CID 70895015
1-[1-(2-Aminopropyl)-2-ethyl-2,3-dihydropyrrol-5-yl]pentan-3-one
CID 70895017
3-(4-Ethylpiperazin-1-yl)cyclopent-2-en-1-one
CID 89005628
2-Methyl-3-piperazin-1-ylcyclopent-2-en-1-one
CID 89936226
3-(4-Tert-butylpiperazin-1-yl)cyclopent-2-en-1-one
CID 89949585
3-(4-Propylpiperazin-1-yl)cyclopent-2-en-1-one
CID 90919298

Frequently Asked Questions

What is the IUPAC name of 3-[(1,4-dimethylpiperazin-2-yl)methylamino]cyclopent-2-en-1-one?
The IUPAC name of 3-[(1,4-dimethylpiperazin-2-yl)methylamino]cyclopent-2-en-1-one (CID 104788526) is 3-[(1,4-dimethylpiperazin-2-yl)methylamino]cyclopent-2-en-1-one.
What is the SMILES notation for 3-[(1,4-dimethylpiperazin-2-yl)methylamino]cyclopent-2-en-1-one?
The canonical SMILES for 3-[(1,4-dimethylpiperazin-2-yl)methylamino]cyclopent-2-en-1-one is CN1CCN(C)C(CNC2=CC(=O)CC2)C1.
What is the InChIKey of 3-[(1,4-dimethylpiperazin-2-yl)methylamino]cyclopent-2-en-1-one?
The InChIKey is BWKNWFKGSULWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-14-5-6-15(2)11(9-14)8-13-10-3-4-12(16)7-10/h7,11,13H,3-6,8-9H2,1-2H3.
What are the key properties of 3-[(1,4-dimethylpiperazin-2-yl)methylamino]cyclopent-2-en-1-one?
3-[(1,4-dimethylpiperazin-2-yl)methylamino]cyclopent-2-en-1-one has a molecular weight of 223.32 g/mol, XLogP of 0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,4-dimethylpiperazin-2-yl)methylamino]cyclopent-2-en-1-one is sourced from PubChem (CID 104788526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).