1-hexan-2-yl-3-methylpiperazine-2,5-dione

C11H20N2O2 — CID 64969050

IUPAC1-hexan-2-yl-3-methylpiperazine-2,5-dione
SMILESCCCCC(C)N1CC(=O)NC(C)C1=O
InChIInChI=1S/C11H20N2O2/c1-4-5-6-8(2)13-7-10(14)12-9(3)11(13)15/h8-9H,4-7H2,1-3H3,(H,12,14)
InChIKeyIHXCAHGVVULNLL-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.91
Rot. Bonds4

About 1-hexan-2-yl-3-methylpiperazine-2,5-dione

1-hexan-2-yl-3-methylpiperazine-2,5-dione (PubChem CID 64969050) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-hexan-2-yl-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-hexan-2-yl-3-methylpiperazine-2,5-dione
PubChem CID64969050
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-hexan-2-yl-3-methylpiperazine-2,5-dione
SMILESCCCCC(C)N1CC(=O)NC(C)C1=O
InChIInChI=1S/C11H20N2O2/c1-4-5-6-8(2)13-7-10(14)12-9(3)11(13)15/h8-9H,4-7H2,1-3H3,(H,12,14)
InChIKeyIHXCAHGVVULNLL-UHFFFAOYSA-N
XLogP0.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-1-hexan-2-ylpiperazine-2,5-dione
CID 64969063
(3S)-3-methyl-1-propan-2-ylpiperazine-2,5-dione
CID 164760236
1-pentan-2-yl-3-propan-2-ylpiperazine-2,5-dione
CID 64957214
3-cyclopropyl-1-hexan-2-yl-3-methylpiperazine-2,5-dione
CID 64969134
1-hexan-2-yl-3,3-dimethylpiperazine-2,5-dione
CID 64969014
1-[4-(furan-2-yl)butan-2-yl]-3-methylpiperazine-2,5-dione
CID 64966669
3-tert-butyl-1-pentan-2-ylpiperazine-2,5-dione
CID 64957328
1-(6-methylheptan-2-yl)-3-propan-2-ylpiperazine-2,5-dione
CID 64965166
1-but-3-yn-2-yl-3-methylpiperazine-2,5-dione
CID 114420528
3-methyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]piperazine-2,5-dione
CID 64972578
3-methyl-1-(2-methylbutyl)piperazine-2,5-dione
CID 64881374
1-octan-2-ylpiperazine-2,5-dione
CID 64955606

Frequently Asked Questions

What is the IUPAC name of 1-hexan-2-yl-3-methylpiperazine-2,5-dione?
The IUPAC name of 1-hexan-2-yl-3-methylpiperazine-2,5-dione (CID 64969050) is 1-hexan-2-yl-3-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-hexan-2-yl-3-methylpiperazine-2,5-dione?
The canonical SMILES for 1-hexan-2-yl-3-methylpiperazine-2,5-dione is CCCCC(C)N1CC(=O)NC(C)C1=O.
What is the InChIKey of 1-hexan-2-yl-3-methylpiperazine-2,5-dione?
The InChIKey is IHXCAHGVVULNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-4-5-6-8(2)13-7-10(14)12-9(3)11(13)15/h8-9H,4-7H2,1-3H3,(H,12,14).
What are the key properties of 1-hexan-2-yl-3-methylpiperazine-2,5-dione?
1-hexan-2-yl-3-methylpiperazine-2,5-dione has a molecular weight of 212.29 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexan-2-yl-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 64969050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).