3,3-diethyl-6-methyl-1-octan-2-ylpiperazine-2,5-dione

C17H32N2O2 — CID 64965106

IUPAC3,3-diethyl-6-methyl-1-octan-2-ylpiperazine-2,5-dione
SMILESCCCCCCC(C)N1C(=O)C(CC)(CC)NC(=O)C1C
InChIInChI=1S/C17H32N2O2/c1-6-9-10-11-12-13(4)19-14(5)15(20)18-17(7-2,8-3)16(19)21/h13-14H,6-12H2,1-5H3,(H,18,20)
InChIKeyMSRZWKDZBGWWHV-UHFFFAOYSA-N
MW296.46 g/mol
LogP3.25
Rot. Bonds8

About 3,3-diethyl-6-methyl-1-octan-2-ylpiperazine-2,5-dione

3,3-diethyl-6-methyl-1-octan-2-ylpiperazine-2,5-dione (PubChem CID 64965106) has the molecular formula C17H32N2O2 and a molecular weight of 296.46 g/mol. Its IUPAC name is 3,3-diethyl-6-methyl-1-octan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name3,3-diethyl-6-methyl-1-octan-2-ylpiperazine-2,5-dione
PubChem CID64965106
Molecular FormulaC17H32N2O2
Molecular Weight296.46 g/mol
Exact Mass296.25
IUPAC Name3,3-diethyl-6-methyl-1-octan-2-ylpiperazine-2,5-dione
SMILESCCCCCCC(C)N1C(=O)C(CC)(CC)NC(=O)C1C
InChIInChI=1S/C17H32N2O2/c1-6-9-10-11-12-13(4)19-14(5)15(20)18-17(7-2,8-3)16(19)21/h13-14H,6-12H2,1-5H3,(H,18,20)
InChIKeyMSRZWKDZBGWWHV-UHFFFAOYSA-N
XLogP3.25
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3,3-diethyl-6-methyl-1-octan-2-ylpiperazine-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

3-ethyl-3,6-dimethyl-1-octan-2-ylpiperazine-2,5-dione
CID 64965046
3,3-diethyl-6-methyl-1-(1-methylsulfonylpropan-2-yl)piperazine-2,5-dione
CID 64973042
3-cyclopropyl-1-heptan-2-yl-3,6-dimethylpiperazine-2,5-dione
CID 64964376
3,3-diethyl-1-(3-ethylpentan-2-yl)-6-methylpiperazine-2,5-dione
CID 64971742
1-but-3-yn-2-yl-3,3-diethyl-6-methylpiperazine-2,5-dione
CID 114420520
8-methyl-9-pentan-2-yl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64957246
3-tert-butyl-6-methyl-1-octan-2-ylpiperazine-2,5-dione
CID 64965035
3-methyl-4-pentan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64957234
3-tert-butyl-1-heptan-2-yl-6-methylpiperazine-2,5-dione
CID 64964224
3,3-diethyl-6-methyl-1-(1-thiophen-3-ylethyl)piperazine-2,5-dione
CID 64969533
(5R)-5-ethyl-5-methyl-3-nonan-2-ylimidazolidine-2,4-dione
CID 134243919
3,3-diethyl-1-hexan-3-yl-6-propan-2-ylpiperazine-2,5-dione
CID 64968418

Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-6-methyl-1-octan-2-ylpiperazine-2,5-dione?
The IUPAC name of 3,3-diethyl-6-methyl-1-octan-2-ylpiperazine-2,5-dione (CID 64965106) is 3,3-diethyl-6-methyl-1-octan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 3,3-diethyl-6-methyl-1-octan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 3,3-diethyl-6-methyl-1-octan-2-ylpiperazine-2,5-dione is CCCCCCC(C)N1C(=O)C(CC)(CC)NC(=O)C1C.
What is the InChIKey of 3,3-diethyl-6-methyl-1-octan-2-ylpiperazine-2,5-dione?
The InChIKey is MSRZWKDZBGWWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-6-9-10-11-12-13(4)19-14(5)15(20)18-17(7-2,8-3)16(19)21/h13-14H,6-12H2,1-5H3,(H,18,20).
What are the key properties of 3,3-diethyl-6-methyl-1-octan-2-ylpiperazine-2,5-dione?
3,3-diethyl-6-methyl-1-octan-2-ylpiperazine-2,5-dione has a molecular weight of 296.46 g/mol, XLogP of 3.25, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-6-methyl-1-octan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64965106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).