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

C12H22N2O2 — CID 64874269

IUPAC6-ethyl-3-methyl-1-pentylpiperazine-2,5-dione
SMILESCCCCCN1C(=O)C(C)NC(=O)C1CC
InChIInChI=1S/C12H22N2O2/c1-4-6-7-8-14-10(5-2)11(15)13-9(3)12(14)16/h9-10H,4-8H2,1-3H3,(H,13,15)
InChIKeyCCSZVDPKNMKDTA-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.30
Rot. Bonds5

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

6-ethyl-3-methyl-1-pentylpiperazine-2,5-dione (PubChem CID 64874269) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 6-ethyl-3-methyl-1-pentylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-3-methyl-1-pentylpiperazine-2,5-dione
PubChem CID64874269
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name6-ethyl-3-methyl-1-pentylpiperazine-2,5-dione
SMILESCCCCCN1C(=O)C(C)NC(=O)C1CC
InChIInChI=1S/C12H22N2O2/c1-4-6-7-8-14-10(5-2)11(15)13-9(3)12(14)16/h9-10H,4-8H2,1-3H3,(H,13,15)
InChIKeyCCSZVDPKNMKDTA-UHFFFAOYSA-N
XLogP1.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.30
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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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-methyl-1-pentylpiperazine-2,5-dione?
The IUPAC name of 6-ethyl-3-methyl-1-pentylpiperazine-2,5-dione (CID 64874269) is 6-ethyl-3-methyl-1-pentylpiperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-3-methyl-1-pentylpiperazine-2,5-dione?
The canonical SMILES for 6-ethyl-3-methyl-1-pentylpiperazine-2,5-dione is CCCCCN1C(=O)C(C)NC(=O)C1CC.
What is the InChIKey of 6-ethyl-3-methyl-1-pentylpiperazine-2,5-dione?
The InChIKey is CCSZVDPKNMKDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-4-6-7-8-14-10(5-2)11(15)13-9(3)12(14)16/h9-10H,4-8H2,1-3H3,(H,13,15).
What are the key properties of 6-ethyl-3-methyl-1-pentylpiperazine-2,5-dione?
6-ethyl-3-methyl-1-pentylpiperazine-2,5-dione has a molecular weight of 226.32 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-methyl-1-pentylpiperazine-2,5-dione is sourced from PubChem (CID 64874269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).