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

C16H30N2O3 — CID 64902153

IUPAC3-butan-2-yl-1-(2-butoxyethyl)-6-ethylpiperazine-2,5-dione
SMILESCCCCOCCN1C(=O)C(C(C)CC)NC(=O)C1CC
InChIInChI=1S/C16H30N2O3/c1-5-8-10-21-11-9-18-13(7-3)15(19)17-14(16(18)20)12(4)6-2/h12-14H,5-11H2,1-4H3,(H,17,19)
InChIKeyDQSHIMJWUBRSLD-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.95
Rot. Bonds9

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

3-butan-2-yl-1-(2-butoxyethyl)-6-ethylpiperazine-2,5-dione (PubChem CID 64902153) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 3-butan-2-yl-1-(2-butoxyethyl)-6-ethylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-butan-2-yl-1-(2-butoxyethyl)-6-ethylpiperazine-2,5-dione
PubChem CID64902153
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name3-butan-2-yl-1-(2-butoxyethyl)-6-ethylpiperazine-2,5-dione
SMILESCCCCOCCN1C(=O)C(C(C)CC)NC(=O)C1CC
InChIInChI=1S/C16H30N2O3/c1-5-8-10-21-11-9-18-13(7-3)15(19)17-14(16(18)20)12(4)6-2/h12-14H,5-11H2,1-4H3,(H,17,19)
InChIKeyDQSHIMJWUBRSLD-UHFFFAOYSA-N
XLogP1.95
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.95
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

3-butan-2-yl-1-(3-ethoxypropyl)-6-ethylpiperazine-2,5-dione
CID 64958605
3-butan-2-yl-1-[3-(dimethylamino)propyl]-6-ethylpiperazine-2,5-dione
CID 64960213
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
1-(3-ethoxypropyl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
CID 64959207
1-(2-butoxyethyl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 64873847
6-ethyl-1-(3-methoxypropyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64874647
3-(2-butoxyethyl)-2-ethyl-5-propan-2-ylimidazolidin-4-one
CID 83253847
3-butan-2-yl-7-methyl-1-(2-propoxyethyl)-1,4-diazepane-2,5-dione
CID 106459146
3-butan-2-yl-1-(3-methylbutyl)-6-(2-methylpropyl)piperazine-2,5-dione
CID 64902911
5-butan-2-yl-2-ethyl-3-[2-(2-methoxyethoxy)ethyl]imidazolidin-4-one
CID 83245523
3-butan-2-yl-6-ethyl-1-(1-methoxypropan-2-yl)piperazine-2,5-dione
CID 64956689

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-1-(2-butoxyethyl)-6-ethylpiperazine-2,5-dione?
The IUPAC name of 3-butan-2-yl-1-(2-butoxyethyl)-6-ethylpiperazine-2,5-dione (CID 64902153) is 3-butan-2-yl-1-(2-butoxyethyl)-6-ethylpiperazine-2,5-dione.
What is the SMILES notation for 3-butan-2-yl-1-(2-butoxyethyl)-6-ethylpiperazine-2,5-dione?
The canonical SMILES for 3-butan-2-yl-1-(2-butoxyethyl)-6-ethylpiperazine-2,5-dione is CCCCOCCN1C(=O)C(C(C)CC)NC(=O)C1CC.
What is the InChIKey of 3-butan-2-yl-1-(2-butoxyethyl)-6-ethylpiperazine-2,5-dione?
The InChIKey is DQSHIMJWUBRSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-5-8-10-21-11-9-18-13(7-3)15(19)17-14(16(18)20)12(4)6-2/h12-14H,5-11H2,1-4H3,(H,17,19).
What are the key properties of 3-butan-2-yl-1-(2-butoxyethyl)-6-ethylpiperazine-2,5-dione?
3-butan-2-yl-1-(2-butoxyethyl)-6-ethylpiperazine-2,5-dione has a molecular weight of 298.43 g/mol, XLogP of 1.95, 9 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-(2-butoxyethyl)-6-ethylpiperazine-2,5-dione is sourced from PubChem (CID 64902153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).