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

C13H24N2O2 — CID 64903586

IUPAC3-ethyl-6,6-dimethyl-1-pentylpiperazine-2,5-dione
SMILESCCCCCN1C(=O)C(CC)NC(=O)C1(C)C
InChIInChI=1S/C13H24N2O2/c1-5-7-8-9-15-11(16)10(6-2)14-12(17)13(15,3)4/h10H,5-9H2,1-4H3,(H,14,17)
InChIKeyNQQOBPDTZFBIKN-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.69
Rot. Bonds5

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

3-ethyl-6,6-dimethyl-1-pentylpiperazine-2,5-dione (PubChem CID 64903586) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-ethyl-6,6-dimethyl-1-pentylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-6,6-dimethyl-1-pentylpiperazine-2,5-dione
PubChem CID64903586
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name3-ethyl-6,6-dimethyl-1-pentylpiperazine-2,5-dione
SMILESCCCCCN1C(=O)C(CC)NC(=O)C1(C)C
InChIInChI=1S/C13H24N2O2/c1-5-7-8-9-15-11(16)10(6-2)14-12(17)13(15,3)4/h10H,5-9H2,1-4H3,(H,14,17)
InChIKeyNQQOBPDTZFBIKN-UHFFFAOYSA-N
XLogP1.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.69
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

6,6-dimethyl-1-pentyl-3-propylpiperazine-2,5-dione
CID 64873577
3-ethyl-1-(2-fluoroethyl)-6,6-dimethylpiperazine-2,5-dione
CID 80696451
3-ethyl-6,6-dimethyl-1-(4,4,4-trifluorobutyl)piperazine-2,5-dione
CID 115519279
3,6,6-triethyl-1-pentylpiperazine-2,5-dione
CID 64901293
3-ethyl-1-(3-ethylsulfanylpropyl)-6,6-dimethylpiperazine-2,5-dione
CID 113474643
3-ethyl-6,6-dimethyl-1-(3-methylbutyl)piperazine-2,5-dione
CID 64903585
3-cyclopropyl-6,6-dimethyl-1-pentylpiperazine-2,5-dione
CID 64886773
3-ethyl-6,6-dimethyl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione
CID 64901859
6,6-dimethyl-1-pentyl-3-phenylpiperazine-2,5-dione
CID 64887461
6-cyclopropyl-3-ethyl-6-methyl-1-(4,4,4-trifluorobutyl)piperazine-2,5-dione
CID 115519286
3-ethyl-6,6-dimethyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione
CID 64903009
3-ethyl-1-[(3-fluorophenyl)methyl]-6,6-dimethylpiperazine-2,5-dione
CID 64902816

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6,6-dimethyl-1-pentylpiperazine-2,5-dione?
The IUPAC name of 3-ethyl-6,6-dimethyl-1-pentylpiperazine-2,5-dione (CID 64903586) is 3-ethyl-6,6-dimethyl-1-pentylpiperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-6,6-dimethyl-1-pentylpiperazine-2,5-dione?
The canonical SMILES for 3-ethyl-6,6-dimethyl-1-pentylpiperazine-2,5-dione is CCCCCN1C(=O)C(CC)NC(=O)C1(C)C.
What is the InChIKey of 3-ethyl-6,6-dimethyl-1-pentylpiperazine-2,5-dione?
The InChIKey is NQQOBPDTZFBIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-5-7-8-9-15-11(16)10(6-2)14-12(17)13(15,3)4/h10H,5-9H2,1-4H3,(H,14,17).
What are the key properties of 3-ethyl-6,6-dimethyl-1-pentylpiperazine-2,5-dione?
3-ethyl-6,6-dimethyl-1-pentylpiperazine-2,5-dione has a molecular weight of 240.35 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6,6-dimethyl-1-pentylpiperazine-2,5-dione is sourced from PubChem (CID 64903586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).