5,5-dimethyl-3-(2-piperazin-1-ylethylamino)cyclohex-2-en-1-one

C14H25N3O — CID 777230

IUPAC5,5-dimethyl-3-(2-piperazin-1-ylethylamino)cyclohex-2-en-1-one
SMILESCC1(C)CC(=O)C=C(NCCN2CCNCC2)C1
InChIInChI=1S/C14H25N3O/c1-14(2)10-12(9-13(18)11-14)16-5-8-17-6-3-15-4-7-17/h9,15-16H,3-8,10-11H2,1-2H3
InChIKeyKUNVLFRFOSOFDZ-UHFFFAOYSA-N
MW251.37 g/mol
LogP0.75
Rot. Bonds4

About 5,5-dimethyl-3-(2-piperazin-1-ylethylamino)cyclohex-2-en-1-one

5,5-dimethyl-3-(2-piperazin-1-ylethylamino)cyclohex-2-en-1-one (PubChem CID 777230) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 5,5-dimethyl-3-(2-piperazin-1-ylethylamino)cyclohex-2-en-1-one.

Molecular Properties

Compound Name5,5-dimethyl-3-(2-piperazin-1-ylethylamino)cyclohex-2-en-1-one
PubChem CID777230
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name5,5-dimethyl-3-(2-piperazin-1-ylethylamino)cyclohex-2-en-1-one
SMILESCC1(C)CC(=O)C=C(NCCN2CCNCC2)C1
InChIInChI=1S/C14H25N3O/c1-14(2)10-12(9-13(18)11-14)16-5-8-17-6-3-15-4-7-17/h9,15-16H,3-8,10-11H2,1-2H3
InChIKeyKUNVLFRFOSOFDZ-UHFFFAOYSA-N
XLogP0.75
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5,5-dimethyl-3-(2-piperazin-1-ylethylamino)cyclohex-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

5,5-Dimethyl-3-(n-propylamino)cyclohex-2-en-1-one
CID 143371
5,5-Dimethyl-3-(piperidino)cyclohex-2-en-1-one
CID 139441
5,5-Dimethyl-3-(octylamino)cyclohex-2-en-1-one
CID 3448281
5,5-Dimethyl-3-((2,2,6,6-tetramethylpiperidin-4-yl)amino)cyclohex-2-enone
CID 777398
3-({8-[(5,5-Dimethyl-3-oxocyclohex-1-enyl)amino]octyl}amino)-5,5-dimethylcyclohex-2-en-1-one
CID 317103
5,5-Dimethyl-3-(methylamino)-2-cyclohexen-1-one
CID 136541
3-(Cycloheptylamino)-5,5-dimethylcyclohex-2-en-1-one
CID 2856644
4-[2-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]ethyl]-N-methylpiperazine-1-carbothioamide
CID 2954816
5,5-Dimethyl-3-piperazin-1-yl-cyclohex-2-enone
CID 648131
3-(Cyclohexylamino)-5,5-dimethylcyclohex-2-en-1-one
CID 137041
3-{[3-(Cyclohexylamino)propyl]amino}-5,5-dimethylcyclohex-2-en-1-one
CID 3127108
4-{2-[(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino]ethyl}-N-ethylpiperazine-1-carbothioamide
CID 804890

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-(2-piperazin-1-ylethylamino)cyclohex-2-en-1-one?
The IUPAC name of 5,5-dimethyl-3-(2-piperazin-1-ylethylamino)cyclohex-2-en-1-one (CID 777230) is 5,5-dimethyl-3-(2-piperazin-1-ylethylamino)cyclohex-2-en-1-one.
What is the SMILES notation for 5,5-dimethyl-3-(2-piperazin-1-ylethylamino)cyclohex-2-en-1-one?
The canonical SMILES for 5,5-dimethyl-3-(2-piperazin-1-ylethylamino)cyclohex-2-en-1-one is CC1(C)CC(=O)C=C(NCCN2CCNCC2)C1.
What is the InChIKey of 5,5-dimethyl-3-(2-piperazin-1-ylethylamino)cyclohex-2-en-1-one?
The InChIKey is KUNVLFRFOSOFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-14(2)10-12(9-13(18)11-14)16-5-8-17-6-3-15-4-7-17/h9,15-16H,3-8,10-11H2,1-2H3.
What are the key properties of 5,5-dimethyl-3-(2-piperazin-1-ylethylamino)cyclohex-2-en-1-one?
5,5-dimethyl-3-(2-piperazin-1-ylethylamino)cyclohex-2-en-1-one has a molecular weight of 251.37 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-(2-piperazin-1-ylethylamino)cyclohex-2-en-1-one is sourced from PubChem (CID 777230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).