3-butan-2-yl-1-(3,3-dimethylcyclopentyl)-6-methylpiperazine-2,5-dione

C16H28N2O2 — CID 114551437

IUPAC3-butan-2-yl-1-(3,3-dimethylcyclopentyl)-6-methylpiperazine-2,5-dione
SMILESCCC(C)C1NC(=O)C(C)N(C2CCC(C)(C)C2)C1=O
InChIInChI=1S/C16H28N2O2/c1-6-10(2)13-15(20)18(11(3)14(19)17-13)12-7-8-16(4,5)9-12/h10-13H,6-9H2,1-5H3,(H,17,19)
InChIKeyRUEXNXHDMWNPRF-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.33
Rot. Bonds3

About 3-butan-2-yl-1-(3,3-dimethylcyclopentyl)-6-methylpiperazine-2,5-dione

3-butan-2-yl-1-(3,3-dimethylcyclopentyl)-6-methylpiperazine-2,5-dione (PubChem CID 114551437) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 3-butan-2-yl-1-(3,3-dimethylcyclopentyl)-6-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-butan-2-yl-1-(3,3-dimethylcyclopentyl)-6-methylpiperazine-2,5-dione
PubChem CID114551437
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name3-butan-2-yl-1-(3,3-dimethylcyclopentyl)-6-methylpiperazine-2,5-dione
SMILESCCC(C)C1NC(=O)C(C)N(C2CCC(C)(C)C2)C1=O
InChIInChI=1S/C16H28N2O2/c1-6-10(2)13-15(20)18(11(3)14(19)17-13)12-7-8-16(4,5)9-12/h10-13H,6-9H2,1-5H3,(H,17,19)
InChIKeyRUEXNXHDMWNPRF-UHFFFAOYSA-N
XLogP2.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-butan-2-yl-3-(3,3-dimethylcyclopentyl)-2-ethylimidazolidin-4-one
CID 114552428
3-butan-2-yl-6-methyl-1-(1-methylpiperidin-4-yl)piperazine-2,5-dione
CID 64960169
3-butan-2-yl-1-(3,3-dimethylcyclopentyl)-1,4-diazepane-2,5-dione
CID 114551444
3-butan-2-yl-6-methyl-1-(1-methylcyclobutyl)piperazine-2,5-dione
CID 113486087
1-(2,2-dimethyloxan-4-yl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 83040418
3-butan-2-yl-6-ethyl-1-(2,2,3,3-tetramethylcyclopropyl)piperazine-2,5-dione
CID 79360326
3-butan-2-yl-1-(1-cyclopropylethyl)-6-methylpiperazine-2,5-dione
CID 64960605
3-butan-2-yl-6-methyl-1-(3-methylpentan-3-yl)piperazine-2,5-dione
CID 106329188
1-cyclopentyl-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 64958467
3-butan-2-yl-1-(2,3-dimethylbutyl)-6-methylpiperazine-2,5-dione
CID 64973180
3-butan-2-yl-1-cyclohexyl-6-cyclopropylpiperazine-2,5-dione
CID 82923635
3-butan-2-yl-1-(1-methylcyclopentyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64973556

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-1-(3,3-dimethylcyclopentyl)-6-methylpiperazine-2,5-dione?
The IUPAC name of 3-butan-2-yl-1-(3,3-dimethylcyclopentyl)-6-methylpiperazine-2,5-dione (CID 114551437) is 3-butan-2-yl-1-(3,3-dimethylcyclopentyl)-6-methylpiperazine-2,5-dione.
What is the SMILES notation for 3-butan-2-yl-1-(3,3-dimethylcyclopentyl)-6-methylpiperazine-2,5-dione?
The canonical SMILES for 3-butan-2-yl-1-(3,3-dimethylcyclopentyl)-6-methylpiperazine-2,5-dione is CCC(C)C1NC(=O)C(C)N(C2CCC(C)(C)C2)C1=O.
What is the InChIKey of 3-butan-2-yl-1-(3,3-dimethylcyclopentyl)-6-methylpiperazine-2,5-dione?
The InChIKey is RUEXNXHDMWNPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-6-10(2)13-15(20)18(11(3)14(19)17-13)12-7-8-16(4,5)9-12/h10-13H,6-9H2,1-5H3,(H,17,19).
What are the key properties of 3-butan-2-yl-1-(3,3-dimethylcyclopentyl)-6-methylpiperazine-2,5-dione?
3-butan-2-yl-1-(3,3-dimethylcyclopentyl)-6-methylpiperazine-2,5-dione has a molecular weight of 280.41 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-1-(3,3-dimethylcyclopentyl)-6-methylpiperazine-2,5-dione is sourced from PubChem (CID 114551437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).