3-methyl-1-(4-methylpentyl)-6-propan-2-ylpiperazine-2,5-dione

C14H26N2O2 — CID 64970004

IUPAC3-methyl-1-(4-methylpentyl)-6-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)CCCN1C(=O)C(C)NC(=O)C1C(C)C
InChIInChI=1S/C14H26N2O2/c1-9(2)7-6-8-16-12(10(3)4)13(17)15-11(5)14(16)18/h9-12H,6-8H2,1-5H3,(H,15,17)
InChIKeyIPMNPDKXMKZUIZ-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.79
Rot. Bonds5

About 3-methyl-1-(4-methylpentyl)-6-propan-2-ylpiperazine-2,5-dione

3-methyl-1-(4-methylpentyl)-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 64970004) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 3-methyl-1-(4-methylpentyl)-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-(4-methylpentyl)-6-propan-2-ylpiperazine-2,5-dione
PubChem CID64970004
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name3-methyl-1-(4-methylpentyl)-6-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)CCCN1C(=O)C(C)NC(=O)C1C(C)C
InChIInChI=1S/C14H26N2O2/c1-9(2)7-6-8-16-12(10(3)4)13(17)15-11(5)14(16)18/h9-12H,6-8H2,1-5H3,(H,15,17)
InChIKeyIPMNPDKXMKZUIZ-UHFFFAOYSA-N
XLogP1.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methyl-1-(4-methylpentyl)-6-propan-2-ylpiperazine-2,5-dione with MolForge

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Related Compounds

3-methyl-1-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64872902
1-(2-fluoroethyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 80696895
1-(2-cyclopentyloxyethyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64971200
1-(3-imidazol-1-ylpropyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64872707
1-(3-methylbutyl)-3,6-di(propan-2-yl)piperazine-2,5-dione
CID 64872808
3-methyl-1-[(1-methylpiperidin-4-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64966902
1-(2-ethylhexyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64873494
1-(2-methoxypropyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 113383064
3-methyl-6-propan-2-yl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione
CID 64873297
3-methyl-1-[2-(3-methylcyclohexyl)ethyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64972282
3-methyl-6-propan-2-yl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione
CID 64874284
3-methyl-6-propan-2-yl-1-(2,2,3,3-tetrafluoropropyl)piperazine-2,5-dione
CID 106290691

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4-methylpentyl)-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 3-methyl-1-(4-methylpentyl)-6-propan-2-ylpiperazine-2,5-dione (CID 64970004) is 3-methyl-1-(4-methylpentyl)-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 3-methyl-1-(4-methylpentyl)-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 3-methyl-1-(4-methylpentyl)-6-propan-2-ylpiperazine-2,5-dione is CC(C)CCCN1C(=O)C(C)NC(=O)C1C(C)C.
What is the InChIKey of 3-methyl-1-(4-methylpentyl)-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is IPMNPDKXMKZUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-9(2)7-6-8-16-12(10(3)4)13(17)15-11(5)14(16)18/h9-12H,6-8H2,1-5H3,(H,15,17).
What are the key properties of 3-methyl-1-(4-methylpentyl)-6-propan-2-ylpiperazine-2,5-dione?
3-methyl-1-(4-methylpentyl)-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 254.37 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4-methylpentyl)-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64970004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).