5-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]hexane-1,3-dione

C15H28N2O2 — CID 155656405

IUPAC5-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]hexane-1,3-dione
SMILESCC(C)CC(=O)CC(=O)N1CCN(CC(C)C)CC1
InChIInChI=1S/C15H28N2O2/c1-12(2)9-14(18)10-15(19)17-7-5-16(6-8-17)11-13(3)4/h12-13H,5-11H2,1-4H3
InChIKeyYVTYWFOBWFJQRR-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.79
Rot. Bonds6

About 5-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]hexane-1,3-dione

5-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]hexane-1,3-dione (PubChem CID 155656405) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 5-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]hexane-1,3-dione.

Molecular Properties

Compound Name5-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]hexane-1,3-dione
PubChem CID155656405
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name5-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]hexane-1,3-dione
SMILESCC(C)CC(=O)CC(=O)N1CCN(CC(C)C)CC1
InChIInChI=1S/C15H28N2O2/c1-12(2)9-14(18)10-15(19)17-7-5-16(6-8-17)11-13(3)4/h12-13H,5-11H2,1-4H3
InChIKeyYVTYWFOBWFJQRR-UHFFFAOYSA-N
XLogP1.79
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 5-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]hexane-1,3-dione 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

2-amino-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone
CID 2756453
4-(2-methylpropyl)piperazine-1-carbonyl chloride
CID 79887256
1-[4-(2-methylpropyl)piperazin-1-yl]pentan-1-one
CID 113072856
2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoacetic acid
CID 2051289
N-ethyl-4-(2-methylpropyl)piperazine-1-carboxamide
CID 115569927
2-methyl-8-[4-(3-methylbutanoyl)piperazin-1-yl]octan-4-one
CID 159943542
[4-(2-methylpropyl)piperazin-1-yl]-piperidin-1-ylmethanone
CID 70534208
2-(2-methoxyethylamino)-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119831605
(2S)-2-amino-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119831591
[4-(2-methylpropyl)piperazin-1-yl]-piperazin-1-ylmethanone
CID 62775488
2-amino-3-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one
CID 60962672
(2S)-2-amino-3-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119831584

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]hexane-1,3-dione?
The IUPAC name of 5-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]hexane-1,3-dione (CID 155656405) is 5-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]hexane-1,3-dione.
What is the SMILES notation for 5-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]hexane-1,3-dione?
The canonical SMILES for 5-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]hexane-1,3-dione is CC(C)CC(=O)CC(=O)N1CCN(CC(C)C)CC1.
What is the InChIKey of 5-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]hexane-1,3-dione?
The InChIKey is YVTYWFOBWFJQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-12(2)9-14(18)10-15(19)17-7-5-16(6-8-17)11-13(3)4/h12-13H,5-11H2,1-4H3.
What are the key properties of 5-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]hexane-1,3-dione?
5-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]hexane-1,3-dione has a molecular weight of 268.40 g/mol, XLogP of 1.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]hexane-1,3-dione is sourced from PubChem (CID 155656405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).