1-(3-ethoxypropyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione

C13H24N2O3 — CID 64959171

IUPAC1-(3-ethoxypropyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione
SMILESCCOCCCN1C(=O)C(C)(C)NC(=O)C1CC
InChIInChI=1S/C13H24N2O3/c1-5-10-11(16)14-13(3,4)12(17)15(10)8-7-9-18-6-2/h10H,5-9H2,1-4H3,(H,14,16)
InChIKeyCNBKCSSNFMBHFJ-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.93
Rot. Bonds6

About 1-(3-ethoxypropyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione

1-(3-ethoxypropyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione (PubChem CID 64959171) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione
PubChem CID64959171
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name1-(3-ethoxypropyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione
SMILESCCOCCCN1C(=O)C(C)(C)NC(=O)C1CC
InChIInChI=1S/C13H24N2O3/c1-5-10-11(16)14-13(3,4)12(17)15(10)8-7-9-18-6-2/h10H,5-9H2,1-4H3,(H,14,16)
InChIKeyCNBKCSSNFMBHFJ-UHFFFAOYSA-N
XLogP0.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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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Related Compounds

6-ethyl-1-(3-methoxypropyl)-3,3-dimethylpiperazine-2,5-dione
CID 64875375
6-ethyl-3,3-dimethyl-1-octylpiperazine-2,5-dione
CID 64873815
6-ethyl-1-(3-ethylsulfonylpropyl)-3,3-dimethylpiperazine-2,5-dione
CID 65096750
6-ethyl-3,3-dimethyl-1-(3-methylsulfonylpropyl)piperazine-2,5-dione
CID 64873811
3-cyclopropyl-1-(2-ethoxyethyl)-6-ethyl-3-methylpiperazine-2,5-dione
CID 64887283
1-(2-ethoxyethyl)-3,3,6-trimethylpiperazine-2,5-dione
CID 64875371
1-(3-ethoxypropyl)-3,3-diethyl-6-propylpiperazine-2,5-dione
CID 65178420
6-ethyl-3,3-dimethyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione
CID 65170495
1-(2,2-dimethylpropyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione
CID 64964021
1-(3-ethoxypropyl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
CID 64959207
6-ethyl-3-methyl-1-(3-propoxypropyl)piperazine-2,5-dione
CID 82947001
6-ethyl-3,3-dimethyl-1-[2-(oxan-2-yl)ethyl]piperazine-2,5-dione
CID 106002967

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione?
The IUPAC name of 1-(3-ethoxypropyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione (CID 64959171) is 1-(3-ethoxypropyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 1-(3-ethoxypropyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione?
The canonical SMILES for 1-(3-ethoxypropyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione is CCOCCCN1C(=O)C(C)(C)NC(=O)C1CC.
What is the InChIKey of 1-(3-ethoxypropyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione?
The InChIKey is CNBKCSSNFMBHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-5-10-11(16)14-13(3,4)12(17)15(10)8-7-9-18-6-2/h10H,5-9H2,1-4H3,(H,14,16).
What are the key properties of 1-(3-ethoxypropyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione?
1-(3-ethoxypropyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione has a molecular weight of 256.35 g/mol, XLogP of 0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 64959171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).