3,3-diethyl-1-hexan-3-yl-6-propan-2-ylpiperazine-2,5-dione

C17H32N2O2 — CID 64968418

IUPAC3,3-diethyl-1-hexan-3-yl-6-propan-2-ylpiperazine-2,5-dione
SMILESCCCC(CC)N1C(=O)C(CC)(CC)NC(=O)C1C(C)C
InChIInChI=1S/C17H32N2O2/c1-7-11-13(8-2)19-14(12(5)6)15(20)18-17(9-3,10-4)16(19)21/h12-14H,7-11H2,1-6H3,(H,18,20)
InChIKeyAMZNSZASRYGXTB-UHFFFAOYSA-N
MW296.45 g/mol
LogP3.11
Rot. Bonds7

About 3,3-diethyl-1-hexan-3-yl-6-propan-2-ylpiperazine-2,5-dione

3,3-diethyl-1-hexan-3-yl-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 64968418) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 3,3-diethyl-1-hexan-3-yl-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name3,3-diethyl-1-hexan-3-yl-6-propan-2-ylpiperazine-2,5-dione
PubChem CID64968418
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name3,3-diethyl-1-hexan-3-yl-6-propan-2-ylpiperazine-2,5-dione
SMILESCCCC(CC)N1C(=O)C(CC)(CC)NC(=O)C1C(C)C
InChIInChI=1S/C17H32N2O2/c1-7-11-13(8-2)19-14(12(5)6)15(20)18-17(9-3,10-4)16(19)21/h12-14H,7-11H2,1-6H3,(H,18,20)
InChIKeyAMZNSZASRYGXTB-UHFFFAOYSA-N
XLogP3.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,3-diethyl-1-hexan-3-yl-6-propan-2-ylpiperazine-2,5-dione with MolForge

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Launch Full Analysis

Related Compounds

1-(1-ethoxypropan-2-yl)-3,3-diethyl-6-propan-2-ylpiperazine-2,5-dione
CID 64967399
1-tert-butyl-3,3-diethyl-6-propan-2-ylpiperazine-2,5-dione
CID 64955313
3-ethyl-1-hexan-3-yl-6-propan-2-ylpiperazine-2,5-dione
CID 64969006
3-butan-2-yl-1-hexan-3-yl-6-propan-2-ylpiperazine-2,5-dione
CID 64969105
3,3-diethyl-1-(3-ethylpentan-2-yl)-6-methylpiperazine-2,5-dione
CID 64971742
1-(2,2-dimethylbutyl)-3,3-diethyl-6-propan-2-ylpiperazine-2,5-dione
CID 103465427
3,3-diethyl-6-methyl-1-octan-2-ylpiperazine-2,5-dione
CID 64965106
3-ethyl-1-hex-1-yn-3-yl-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 106225032
2,5-diethyl-3-hexan-3-yl-5-methylimidazolidin-4-one
CID 83252694
3,3-diethyl-1-pent-3-ynyl-6-propan-2-ylpiperazine-2,5-dione
CID 116645652
3,3-diethyl-1-(4-methoxybutyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64967457
3,3-diethyl-6-propan-2-yl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione
CID 115979721

Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-1-hexan-3-yl-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 3,3-diethyl-1-hexan-3-yl-6-propan-2-ylpiperazine-2,5-dione (CID 64968418) is 3,3-diethyl-1-hexan-3-yl-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 3,3-diethyl-1-hexan-3-yl-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 3,3-diethyl-1-hexan-3-yl-6-propan-2-ylpiperazine-2,5-dione is CCCC(CC)N1C(=O)C(CC)(CC)NC(=O)C1C(C)C.
What is the InChIKey of 3,3-diethyl-1-hexan-3-yl-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is AMZNSZASRYGXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-7-11-13(8-2)19-14(12(5)6)15(20)18-17(9-3,10-4)16(19)21/h12-14H,7-11H2,1-6H3,(H,18,20).
What are the key properties of 3,3-diethyl-1-hexan-3-yl-6-propan-2-ylpiperazine-2,5-dione?
3,3-diethyl-1-hexan-3-yl-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 296.45 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-1-hexan-3-yl-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64968418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).