3-butan-2-yl-1-(3-ethoxypropyl)-6-ethylpiperazine-2,5-dione

C15H28N2O3 — CID 64958605

IUPAC3-butan-2-yl-1-(3-ethoxypropyl)-6-ethylpiperazine-2,5-dione
SMILESCCOCCCN1C(=O)C(C(C)CC)NC(=O)C1CC
InChIInChI=1S/C15H28N2O3/c1-5-11(4)13-15(19)17(9-8-10-20-7-3)12(6-2)14(18)16-13/h11-13H,5-10H2,1-4H3,(H,16,18)
InChIKeyPLCGTQGOMRVNJV-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.56
Rot. Bonds8

About 3-butan-2-yl-1-(3-ethoxypropyl)-6-ethylpiperazine-2,5-dione

3-butan-2-yl-1-(3-ethoxypropyl)-6-ethylpiperazine-2,5-dione (PubChem CID 64958605) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-butan-2-yl-1-(3-ethoxypropyl)-6-ethylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-butan-2-yl-1-(3-ethoxypropyl)-6-ethylpiperazine-2,5-dione
PubChem CID64958605
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name3-butan-2-yl-1-(3-ethoxypropyl)-6-ethylpiperazine-2,5-dione
SMILESCCOCCCN1C(=O)C(C(C)CC)NC(=O)C1CC
InChIInChI=1S/C15H28N2O3/c1-5-11(4)13-15(19)17(9-8-10-20-7-3)12(6-2)14(18)16-13/h11-13H,5-10H2,1-4H3,(H,16,18)
InChIKeyPLCGTQGOMRVNJV-UHFFFAOYSA-N
XLogP1.56
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.56
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

1-(3-ethoxypropyl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
CID 64959207
3-butan-2-yl-1-(2-butoxyethyl)-6-ethylpiperazine-2,5-dione
CID 64902153
3-butan-2-yl-1-[3-(dimethylamino)propyl]-6-ethylpiperazine-2,5-dione
CID 64960213
6-butan-2-yl-1-(3-ethoxypropyl)-3-propan-2-ylpiperazine-2,5-dione
CID 65178143
6-ethyl-1-(3-methoxypropyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64874647
3-butan-2-yl-1-butyl-6-(2-methylpropyl)piperazine-2,5-dione
CID 64903086
3-butan-2-yl-1-(2-propan-2-yloxyethyl)-6-propylpiperazine-2,5-dione
CID 64902709
6-ethyl-3-methyl-1-(3-propoxypropyl)piperazine-2,5-dione
CID 82947001
3-butan-2-yl-1-(3-methylbutyl)-6-(2-methylpropyl)piperazine-2,5-dione
CID 64902911
3-butan-2-yl-6-ethyl-1-(1-methoxypropan-2-yl)piperazine-2,5-dione
CID 64956689
1-(3-ethoxypropyl)-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione
CID 65177926
1-(3-ethoxypropyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione
CID 64959171

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-1-(3-ethoxypropyl)-6-ethylpiperazine-2,5-dione?
The IUPAC name of 3-butan-2-yl-1-(3-ethoxypropyl)-6-ethylpiperazine-2,5-dione (CID 64958605) is 3-butan-2-yl-1-(3-ethoxypropyl)-6-ethylpiperazine-2,5-dione.
What is the SMILES notation for 3-butan-2-yl-1-(3-ethoxypropyl)-6-ethylpiperazine-2,5-dione?
The canonical SMILES for 3-butan-2-yl-1-(3-ethoxypropyl)-6-ethylpiperazine-2,5-dione is CCOCCCN1C(=O)C(C(C)CC)NC(=O)C1CC.
What is the InChIKey of 3-butan-2-yl-1-(3-ethoxypropyl)-6-ethylpiperazine-2,5-dione?
The InChIKey is PLCGTQGOMRVNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-5-11(4)13-15(19)17(9-8-10-20-7-3)12(6-2)14(18)16-13/h11-13H,5-10H2,1-4H3,(H,16,18).
What are the key properties of 3-butan-2-yl-1-(3-ethoxypropyl)-6-ethylpiperazine-2,5-dione?
3-butan-2-yl-1-(3-ethoxypropyl)-6-ethylpiperazine-2,5-dione has a molecular weight of 284.40 g/mol, XLogP of 1.56, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-1-(3-ethoxypropyl)-6-ethylpiperazine-2,5-dione is sourced from PubChem (CID 64958605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).