6-ethyl-3-methyl-1-(3-propoxypropyl)piperazine-2,5-dione

C13H24N2O3 — CID 82947001

IUPAC6-ethyl-3-methyl-1-(3-propoxypropyl)piperazine-2,5-dione
SMILESCCCOCCCN1C(=O)C(C)NC(=O)C1CC
InChIInChI=1S/C13H24N2O3/c1-4-8-18-9-6-7-15-11(5-2)12(16)14-10(3)13(15)17/h10-11H,4-9H2,1-3H3,(H,14,16)
InChIKeyKRXDMBXXOACJKJ-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.93
Rot. Bonds7

About 6-ethyl-3-methyl-1-(3-propoxypropyl)piperazine-2,5-dione

6-ethyl-3-methyl-1-(3-propoxypropyl)piperazine-2,5-dione (PubChem CID 82947001) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 6-ethyl-3-methyl-1-(3-propoxypropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-3-methyl-1-(3-propoxypropyl)piperazine-2,5-dione
PubChem CID82947001
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name6-ethyl-3-methyl-1-(3-propoxypropyl)piperazine-2,5-dione
SMILESCCCOCCCN1C(=O)C(C)NC(=O)C1CC
InChIInChI=1S/C13H24N2O3/c1-4-8-18-9-6-7-15-11(5-2)12(16)14-10(3)13(15)17/h10-11H,4-9H2,1-3H3,(H,14,16)
InChIKeyKRXDMBXXOACJKJ-UHFFFAOYSA-N
XLogP0.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(3-propoxypropyl)piperazine-2,5-dione?
The IUPAC name of 6-ethyl-3-methyl-1-(3-propoxypropyl)piperazine-2,5-dione (CID 82947001) is 6-ethyl-3-methyl-1-(3-propoxypropyl)piperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-3-methyl-1-(3-propoxypropyl)piperazine-2,5-dione?
The canonical SMILES for 6-ethyl-3-methyl-1-(3-propoxypropyl)piperazine-2,5-dione is CCCOCCCN1C(=O)C(C)NC(=O)C1CC.
What is the InChIKey of 6-ethyl-3-methyl-1-(3-propoxypropyl)piperazine-2,5-dione?
The InChIKey is KRXDMBXXOACJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-4-8-18-9-6-7-15-11(5-2)12(16)14-10(3)13(15)17/h10-11H,4-9H2,1-3H3,(H,14,16).
What are the key properties of 6-ethyl-3-methyl-1-(3-propoxypropyl)piperazine-2,5-dione?
6-ethyl-3-methyl-1-(3-propoxypropyl)piperazine-2,5-dione has a molecular weight of 256.35 g/mol, XLogP of 0.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-methyl-1-(3-propoxypropyl)piperazine-2,5-dione is sourced from PubChem (CID 82947001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).