3-butan-2-yl-1-butyl-6-(2-methylpropyl)piperazine-2,5-dione

C16H30N2O2 — CID 64903086

IUPAC3-butan-2-yl-1-butyl-6-(2-methylpropyl)piperazine-2,5-dione
SMILESCCCCN1C(=O)C(C(C)CC)NC(=O)C1CC(C)C
InChIInChI=1S/C16H30N2O2/c1-6-8-9-18-13(10-11(3)4)15(19)17-14(16(18)20)12(5)7-2/h11-14H,6-10H2,1-5H3,(H,17,19)
InChIKeyOXZCGSXCOUXHFA-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.57
Rot. Bonds7

About 3-butan-2-yl-1-butyl-6-(2-methylpropyl)piperazine-2,5-dione

3-butan-2-yl-1-butyl-6-(2-methylpropyl)piperazine-2,5-dione (PubChem CID 64903086) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 3-butan-2-yl-1-butyl-6-(2-methylpropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-butan-2-yl-1-butyl-6-(2-methylpropyl)piperazine-2,5-dione
PubChem CID64903086
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name3-butan-2-yl-1-butyl-6-(2-methylpropyl)piperazine-2,5-dione
SMILESCCCCN1C(=O)C(C(C)CC)NC(=O)C1CC(C)C
InChIInChI=1S/C16H30N2O2/c1-6-8-9-18-13(10-11(3)4)15(19)17-14(16(18)20)12(5)7-2/h11-14H,6-10H2,1-5H3,(H,17,19)
InChIKeyOXZCGSXCOUXHFA-UHFFFAOYSA-N
XLogP2.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-butan-2-yl-1-butyl-6-(2-methylpropyl)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

3-butan-2-yl-1-(3-methylbutyl)-6-(2-methylpropyl)piperazine-2,5-dione
CID 64902911
1-butyl-6-(2-methylpropyl)-3-propylpiperazine-2,5-dione
CID 64873181
3-butan-2-yl-1-(2-butoxyethyl)-6-ethylpiperazine-2,5-dione
CID 64902153
3-ethyl-6-(2-methylpropyl)-1-pentylpiperazine-2,5-dione
CID 64901650
5-butan-2-yl-2-(2-methylpropyl)-3-pentylimidazolidin-4-one
CID 83250722
3-butan-2-yl-1-(3-ethoxypropyl)-6-ethylpiperazine-2,5-dione
CID 64958605
3-butan-2-yl-1-[3-(dimethylamino)propyl]-6-ethylpiperazine-2,5-dione
CID 64960213
1-(4-methylpentyl)-6-(2-methylpropyl)-3-propylpiperazine-2,5-dione
CID 83148273
3-butan-2-yl-1-(2-propan-2-yloxyethyl)-6-propylpiperazine-2,5-dione
CID 64902709
3-butan-2-yl-1-(2-ethylbutyl)-6-propylpiperazine-2,5-dione
CID 82926807
1-(2-methoxyethyl)-6-(2-methylpropyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64873401
1-hexyl-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione
CID 64900959

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-1-butyl-6-(2-methylpropyl)piperazine-2,5-dione?
The IUPAC name of 3-butan-2-yl-1-butyl-6-(2-methylpropyl)piperazine-2,5-dione (CID 64903086) is 3-butan-2-yl-1-butyl-6-(2-methylpropyl)piperazine-2,5-dione.
What is the SMILES notation for 3-butan-2-yl-1-butyl-6-(2-methylpropyl)piperazine-2,5-dione?
The canonical SMILES for 3-butan-2-yl-1-butyl-6-(2-methylpropyl)piperazine-2,5-dione is CCCCN1C(=O)C(C(C)CC)NC(=O)C1CC(C)C.
What is the InChIKey of 3-butan-2-yl-1-butyl-6-(2-methylpropyl)piperazine-2,5-dione?
The InChIKey is OXZCGSXCOUXHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-6-8-9-18-13(10-11(3)4)15(19)17-14(16(18)20)12(5)7-2/h11-14H,6-10H2,1-5H3,(H,17,19).
What are the key properties of 3-butan-2-yl-1-butyl-6-(2-methylpropyl)piperazine-2,5-dione?
3-butan-2-yl-1-butyl-6-(2-methylpropyl)piperazine-2,5-dione has a molecular weight of 282.43 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-1-butyl-6-(2-methylpropyl)piperazine-2,5-dione is sourced from PubChem (CID 64903086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).