3-cyclohexyl-6-methyl-1-pentan-3-ylpiperazine-2,5-dione

C16H28N2O2 — CID 64958271

IUPAC3-cyclohexyl-6-methyl-1-pentan-3-ylpiperazine-2,5-dione
SMILESCCC(CC)N1C(=O)C(C2CCCCC2)NC(=O)C1C
InChIInChI=1S/C16H28N2O2/c1-4-13(5-2)18-11(3)15(19)17-14(16(18)20)12-9-7-6-8-10-12/h11-14H,4-10H2,1-3H3,(H,17,19)
InChIKeyCJICJXBFVUMSIW-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.47
Rot. Bonds4

About 3-cyclohexyl-6-methyl-1-pentan-3-ylpiperazine-2,5-dione

3-cyclohexyl-6-methyl-1-pentan-3-ylpiperazine-2,5-dione (PubChem CID 64958271) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 3-cyclohexyl-6-methyl-1-pentan-3-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclohexyl-6-methyl-1-pentan-3-ylpiperazine-2,5-dione
PubChem CID64958271
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name3-cyclohexyl-6-methyl-1-pentan-3-ylpiperazine-2,5-dione
SMILESCCC(CC)N1C(=O)C(C2CCCCC2)NC(=O)C1C
InChIInChI=1S/C16H28N2O2/c1-4-13(5-2)18-11(3)15(19)17-14(16(18)20)12-9-7-6-8-10-12/h11-14H,4-10H2,1-3H3,(H,17,19)
InChIKeyCJICJXBFVUMSIW-UHFFFAOYSA-N
XLogP2.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclohexyl-6-methyl-1-propan-2-ylpiperazine-2,5-dione
CID 64887376
1-but-3-yn-2-yl-3-cyclohexyl-6-methylpiperazine-2,5-dione
CID 114420569
1-(1-cyclohexylethyl)-3-cyclopropyl-6-methylpiperazine-2,5-dione
CID 64969309
3-cyclopropyl-6-methyl-1-propan-2-ylpiperazine-2,5-dione
CID 64885420
3-cyclohexyl-1-(1-cyclopropylbutan-2-yl)piperazine-2,5-dione
CID 64971924
2-cyclopentyl-5-ethyl-3-pentan-3-ylimidazolidin-4-one
CID 83242416
3-cyclopropyl-1-hexan-2-yl-6-methylpiperazine-2,5-dione
CID 64969099
1-(1-cyclohexylpropyl)-3-ethyl-6-methylpiperazine-2,5-dione
CID 64969277
3-cyclohexyl-6-ethyl-1-(2-methylbutyl)piperazine-2,5-dione
CID 64887564
3-cyclopropyl-1-ethyl-6-methylpiperazine-2,5-dione
CID 64885417
3-cyclopropyl-1-pentan-3-ylpiperazine-2,5-dione
CID 64958301
1-(cyclopentylmethyl)-3-cyclopropyl-6-methylpiperazine-2,5-dione
CID 64887134

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-6-methyl-1-pentan-3-ylpiperazine-2,5-dione?
The IUPAC name of 3-cyclohexyl-6-methyl-1-pentan-3-ylpiperazine-2,5-dione (CID 64958271) is 3-cyclohexyl-6-methyl-1-pentan-3-ylpiperazine-2,5-dione.
What is the SMILES notation for 3-cyclohexyl-6-methyl-1-pentan-3-ylpiperazine-2,5-dione?
The canonical SMILES for 3-cyclohexyl-6-methyl-1-pentan-3-ylpiperazine-2,5-dione is CCC(CC)N1C(=O)C(C2CCCCC2)NC(=O)C1C.
What is the InChIKey of 3-cyclohexyl-6-methyl-1-pentan-3-ylpiperazine-2,5-dione?
The InChIKey is CJICJXBFVUMSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-4-13(5-2)18-11(3)15(19)17-14(16(18)20)12-9-7-6-8-10-12/h11-14H,4-10H2,1-3H3,(H,17,19).
What are the key properties of 3-cyclohexyl-6-methyl-1-pentan-3-ylpiperazine-2,5-dione?
3-cyclohexyl-6-methyl-1-pentan-3-ylpiperazine-2,5-dione has a molecular weight of 280.41 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-6-methyl-1-pentan-3-ylpiperazine-2,5-dione is sourced from PubChem (CID 64958271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).