3-ethyl-3-methyl-1-(4-methylpentyl)piperazine-2,5-dione

C13H24N2O2 — CID 64970582

IUPAC3-ethyl-3-methyl-1-(4-methylpentyl)piperazine-2,5-dione
SMILESCCC1(C)NC(=O)CN(CCCC(C)C)C1=O
InChIInChI=1S/C13H24N2O2/c1-5-13(4)12(17)15(9-11(16)14-13)8-6-7-10(2)3/h10H,5-9H2,1-4H3,(H,14,16)
InChIKeyGVWFYJYAKXWWAB-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.55
Rot. Bonds5

About 3-ethyl-3-methyl-1-(4-methylpentyl)piperazine-2,5-dione

3-ethyl-3-methyl-1-(4-methylpentyl)piperazine-2,5-dione (PubChem CID 64970582) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-ethyl-3-methyl-1-(4-methylpentyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-3-methyl-1-(4-methylpentyl)piperazine-2,5-dione
PubChem CID64970582
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name3-ethyl-3-methyl-1-(4-methylpentyl)piperazine-2,5-dione
SMILESCCC1(C)NC(=O)CN(CCCC(C)C)C1=O
InChIInChI=1S/C13H24N2O2/c1-5-13(4)12(17)15(9-11(16)14-13)8-6-7-10(2)3/h10H,5-9H2,1-4H3,(H,14,16)
InChIKeyGVWFYJYAKXWWAB-UHFFFAOYSA-N
XLogP1.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-diethyl-1-(4-methylpentyl)piperazine-2,5-dione
CID 64969958
3,3-dimethyl-1-(4-methylpentyl)piperazine-2,5-dione
CID 64970606
3-ethyl-3-methyl-1-octylpiperazine-2,5-dione
CID 64882721
5-ethyl-5-methyl-3-(4-methylpentyl)imidazolidin-4-one
CID 83255365
1-(3-ethoxypropyl)-3-ethyl-3-methylpiperazine-2,5-dione
CID 64958561
3-ethyl-3-methyl-1-(5,5,5-trifluoropentyl)piperazine-2,5-dione
CID 115522526
3-ethyl-3-methyl-1-(3-phenylbutyl)piperazine-2,5-dione
CID 64970121
4-(4-methylpentyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64970002
3-ethyl-3,7-dimethyl-1-(4-methylpentyl)-1,4-diazepane-2,5-dione
CID 83168869
9-(7-methyloctyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 107818476
3-ethyl-3-methyl-1-(2-phenylsulfanylethyl)piperazine-2,5-dione
CID 79223836
3,3-dimethyl-1-propylpiperazine-2,5-dione
CID 64881118

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methyl-1-(4-methylpentyl)piperazine-2,5-dione?
The IUPAC name of 3-ethyl-3-methyl-1-(4-methylpentyl)piperazine-2,5-dione (CID 64970582) is 3-ethyl-3-methyl-1-(4-methylpentyl)piperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-3-methyl-1-(4-methylpentyl)piperazine-2,5-dione?
The canonical SMILES for 3-ethyl-3-methyl-1-(4-methylpentyl)piperazine-2,5-dione is CCC1(C)NC(=O)CN(CCCC(C)C)C1=O.
What is the InChIKey of 3-ethyl-3-methyl-1-(4-methylpentyl)piperazine-2,5-dione?
The InChIKey is GVWFYJYAKXWWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-5-13(4)12(17)15(9-11(16)14-13)8-6-7-10(2)3/h10H,5-9H2,1-4H3,(H,14,16).
What are the key properties of 3-ethyl-3-methyl-1-(4-methylpentyl)piperazine-2,5-dione?
3-ethyl-3-methyl-1-(4-methylpentyl)piperazine-2,5-dione has a molecular weight of 240.35 g/mol, XLogP of 1.55, 5 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-(4-methylpentyl)piperazine-2,5-dione is sourced from PubChem (CID 64970582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).