3,3,6-trimethyl-1-(3-phenylbutyl)piperazine-2,5-dione

C17H24N2O2 — CID 64970120

IUPAC3,3,6-trimethyl-1-(3-phenylbutyl)piperazine-2,5-dione
SMILESCC(CCN1C(=O)C(C)(C)NC(=O)C1C)c1ccccc1
InChIInChI=1S/C17H24N2O2/c1-12(14-8-6-5-7-9-14)10-11-19-13(2)15(20)18-17(3,4)16(19)21/h5-9,12-13H,10-11H2,1-4H3,(H,18,20)
InChIKeyBMCVRGGBYVSVIN-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.31
Rot. Bonds4

About 3,3,6-trimethyl-1-(3-phenylbutyl)piperazine-2,5-dione

3,3,6-trimethyl-1-(3-phenylbutyl)piperazine-2,5-dione (PubChem CID 64970120) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3,3,6-trimethyl-1-(3-phenylbutyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3,3,6-trimethyl-1-(3-phenylbutyl)piperazine-2,5-dione
PubChem CID64970120
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name3,3,6-trimethyl-1-(3-phenylbutyl)piperazine-2,5-dione
SMILESCC(CCN1C(=O)C(C)(C)NC(=O)C1C)c1ccccc1
InChIInChI=1S/C17H24N2O2/c1-12(14-8-6-5-7-9-14)10-11-19-13(2)15(20)18-17(3,4)16(19)21/h5-9,12-13H,10-11H2,1-4H3,(H,18,20)
InChIKeyBMCVRGGBYVSVIN-UHFFFAOYSA-N
XLogP2.31
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,3,6-trimethyl-1-(3-phenylbutyl)piperazine-2,5-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

1-(2-ethoxyethyl)-3,3,6-trimethylpiperazine-2,5-dione
CID 64875371
1-[(4-ethylphenyl)methyl]-3,3,6-trimethylpiperazine-2,5-dione
CID 64873808
1-(3-ethylsulfonylpropyl)-3,3,6-trimethylpiperazine-2,5-dione
CID 65096703
6-ethyl-1-(3-phenylbutyl)piperazine-2,5-dione
CID 64970133
3-ethyl-3-methyl-1-(3-phenylbutyl)piperazine-2,5-dione
CID 64970121
3,3,6-trimethyl-1-(pyridin-4-ylmethyl)piperazine-2,5-dione
CID 64872640
1-benzyl-3,3-dimethyl-6-(2-methylpropyl)piperazine-2,5-dione
CID 12032341
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3,3,6-trimethylpiperazine-2,5-dione
CID 79206434
3,3,6-trimethyl-1-(2-methylprop-2-enyl)piperazine-2,5-dione
CID 114619336
6-ethyl-3,3-dimethyl-1-(1-phenylpropyl)piperazine-2,5-dione
CID 64968919
1-benzyl-6-ethyl-3,3-dimethylpiperazine-2,5-dione
CID 64873816
8-methyl-9-(3-methylbutyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64887057

Frequently Asked Questions

What is the IUPAC name of 3,3,6-trimethyl-1-(3-phenylbutyl)piperazine-2,5-dione?
The IUPAC name of 3,3,6-trimethyl-1-(3-phenylbutyl)piperazine-2,5-dione (CID 64970120) is 3,3,6-trimethyl-1-(3-phenylbutyl)piperazine-2,5-dione.
What is the SMILES notation for 3,3,6-trimethyl-1-(3-phenylbutyl)piperazine-2,5-dione?
The canonical SMILES for 3,3,6-trimethyl-1-(3-phenylbutyl)piperazine-2,5-dione is CC(CCN1C(=O)C(C)(C)NC(=O)C1C)c1ccccc1.
What is the InChIKey of 3,3,6-trimethyl-1-(3-phenylbutyl)piperazine-2,5-dione?
The InChIKey is BMCVRGGBYVSVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-12(14-8-6-5-7-9-14)10-11-19-13(2)15(20)18-17(3,4)16(19)21/h5-9,12-13H,10-11H2,1-4H3,(H,18,20).
What are the key properties of 3,3,6-trimethyl-1-(3-phenylbutyl)piperazine-2,5-dione?
3,3,6-trimethyl-1-(3-phenylbutyl)piperazine-2,5-dione has a molecular weight of 288.39 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,6-trimethyl-1-(3-phenylbutyl)piperazine-2,5-dione is sourced from PubChem (CID 64970120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).