3-ethyl-3-methyl-1-(5-methylhexyl)-6-propan-2-ylpiperazine-2,5-dione

C17H32N2O2 — CID 115327146

IUPAC3-ethyl-3-methyl-1-(5-methylhexyl)-6-propan-2-ylpiperazine-2,5-dione
SMILESCCC1(C)NC(=O)C(C(C)C)N(CCCCC(C)C)C1=O
InChIInChI=1S/C17H32N2O2/c1-7-17(6)16(21)19(11-9-8-10-12(2)3)14(13(4)5)15(20)18-17/h12-14H,7-11H2,1-6H3,(H,18,20)
InChIKeyNVDKDTOWDBGWSA-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.96
Rot. Bonds7

About 3-ethyl-3-methyl-1-(5-methylhexyl)-6-propan-2-ylpiperazine-2,5-dione

3-ethyl-3-methyl-1-(5-methylhexyl)-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 115327146) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 3-ethyl-3-methyl-1-(5-methylhexyl)-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-3-methyl-1-(5-methylhexyl)-6-propan-2-ylpiperazine-2,5-dione
PubChem CID115327146
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name3-ethyl-3-methyl-1-(5-methylhexyl)-6-propan-2-ylpiperazine-2,5-dione
SMILESCCC1(C)NC(=O)C(C(C)C)N(CCCCC(C)C)C1=O
InChIInChI=1S/C17H32N2O2/c1-7-17(6)16(21)19(11-9-8-10-12(2)3)14(13(4)5)15(20)18-17/h12-14H,7-11H2,1-6H3,(H,18,20)
InChIKeyNVDKDTOWDBGWSA-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-3-methyl-1-(3-methylbutyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64901390
5-ethyl-2,5-dimethyl-3-(5-methylhexyl)imidazolidin-4-one
CID 83260814
1-(2,2-dimethylpropyl)-3-ethyl-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64964468
3-ethyl-3-methyl-6-propan-2-yl-1-prop-2-ynylpiperazine-2,5-dione
CID 64963630
5-ethyl-5-methyl-3-(5-methylhexyl)-2-(2-methylpropyl)imidazolidin-4-one
CID 83260603
6-butan-2-yl-3-ethyl-1-(3-methoxypropyl)-3-methylpiperazine-2,5-dione
CID 64886435
3-ethyl-3-methyl-1-[2-(2-methylprop-2-enoxy)ethyl]-6-propan-2-ylpiperazine-2,5-dione
CID 114469804
3-ethyl-3,7-dimethyl-1-(4-methylpentyl)-1,4-diazepane-2,5-dione
CID 83168869
1-(2-ethoxy-2-methylpropyl)-3-ethyl-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 114944478
1-(cyclohexylmethyl)-3-ethyl-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64901759
3-ethyl-3-methyl-6-propan-2-yl-1-[2-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione
CID 64970290
3-ethyl-3-methyl-1-(4-methylpentan-2-yl)-6-propan-2-ylpiperazine-2,5-dione
CID 64960140

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methyl-1-(5-methylhexyl)-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 3-ethyl-3-methyl-1-(5-methylhexyl)-6-propan-2-ylpiperazine-2,5-dione (CID 115327146) is 3-ethyl-3-methyl-1-(5-methylhexyl)-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-3-methyl-1-(5-methylhexyl)-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 3-ethyl-3-methyl-1-(5-methylhexyl)-6-propan-2-ylpiperazine-2,5-dione is CCC1(C)NC(=O)C(C(C)C)N(CCCCC(C)C)C1=O.
What is the InChIKey of 3-ethyl-3-methyl-1-(5-methylhexyl)-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is NVDKDTOWDBGWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-7-17(6)16(21)19(11-9-8-10-12(2)3)14(13(4)5)15(20)18-17/h12-14H,7-11H2,1-6H3,(H,18,20).
What are the key properties of 3-ethyl-3-methyl-1-(5-methylhexyl)-6-propan-2-ylpiperazine-2,5-dione?
3-ethyl-3-methyl-1-(5-methylhexyl)-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 296.45 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methyl-1-(5-methylhexyl)-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 115327146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).