6-ethyl-3,3,6-trimethyl-1-pentylpiperazine-2,5-dione

C14H26N2O2 — CID 64903530

IUPAC6-ethyl-3,3,6-trimethyl-1-pentylpiperazine-2,5-dione
SMILESCCCCCN1C(=O)C(C)(C)NC(=O)C1(C)CC
InChIInChI=1S/C14H26N2O2/c1-6-8-9-10-16-12(18)13(3,4)15-11(17)14(16,5)7-2/h6-10H2,1-5H3,(H,15,17)
InChIKeyICHSSIVNJVOLCR-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.08
Rot. Bonds5

About 6-ethyl-3,3,6-trimethyl-1-pentylpiperazine-2,5-dione

6-ethyl-3,3,6-trimethyl-1-pentylpiperazine-2,5-dione (PubChem CID 64903530) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 6-ethyl-3,3,6-trimethyl-1-pentylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-3,3,6-trimethyl-1-pentylpiperazine-2,5-dione
PubChem CID64903530
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name6-ethyl-3,3,6-trimethyl-1-pentylpiperazine-2,5-dione
SMILESCCCCCN1C(=O)C(C)(C)NC(=O)C1(C)CC
InChIInChI=1S/C14H26N2O2/c1-6-8-9-10-16-12(18)13(3,4)15-11(17)14(16,5)7-2/h6-10H2,1-5H3,(H,15,17)
InChIKeyICHSSIVNJVOLCR-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-ethyl-3,3,6-trimethyl-1-(2-methylpentyl)piperazine-2,5-dione
CID 64902381
6-ethyl-3,3,6-trimethyl-1-[2-(3-methylbutoxy)ethyl]piperazine-2,5-dione
CID 64901611
6-ethyl-6-methyl-1-pentylpiperazine-2,5-dione
CID 64879719
6-ethyl-3,3,6-trimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione
CID 82871729
6-ethyl-1-[(2-fluorophenyl)methyl]-3,3,6-trimethylpiperazine-2,5-dione
CID 64902761
6-ethyl-3,3,6-trimethyl-1-(oxolan-3-ylmethyl)piperazine-2,5-dione
CID 64901613
3,3,6,6-tetramethyl-1-(3-methylsulfanylpropyl)piperazine-2,5-dione
CID 113474635
6-ethyl-3,3,6-trimethyl-1-(pyridin-3-ylmethyl)piperazine-2,5-dione
CID 64900851
3-cyclopropyl-6,6-diethyl-3-methyl-1-pentylpiperazine-2,5-dione
CID 64885577
3,3,6-triethyl-6-methyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione
CID 64887514
1-heptyl-3,3-dimethylpiperazine-2,5-dione
CID 64879590
8-ethyl-8-methyl-9-(2-propoxyethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 106459063

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3,3,6-trimethyl-1-pentylpiperazine-2,5-dione?
The IUPAC name of 6-ethyl-3,3,6-trimethyl-1-pentylpiperazine-2,5-dione (CID 64903530) is 6-ethyl-3,3,6-trimethyl-1-pentylpiperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-3,3,6-trimethyl-1-pentylpiperazine-2,5-dione?
The canonical SMILES for 6-ethyl-3,3,6-trimethyl-1-pentylpiperazine-2,5-dione is CCCCCN1C(=O)C(C)(C)NC(=O)C1(C)CC.
What is the InChIKey of 6-ethyl-3,3,6-trimethyl-1-pentylpiperazine-2,5-dione?
The InChIKey is ICHSSIVNJVOLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-6-8-9-10-16-12(18)13(3,4)15-11(17)14(16,5)7-2/h6-10H2,1-5H3,(H,15,17).
What are the key properties of 6-ethyl-3,3,6-trimethyl-1-pentylpiperazine-2,5-dione?
6-ethyl-3,3,6-trimethyl-1-pentylpiperazine-2,5-dione has a molecular weight of 254.37 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3,3,6-trimethyl-1-pentylpiperazine-2,5-dione is sourced from PubChem (CID 64903530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).