3-butan-2-yl-6-ethyl-1-(oxolan-3-yl)piperazine-2,5-dione

C14H24N2O3 — CID 64902522

IUPAC3-butan-2-yl-6-ethyl-1-(oxolan-3-yl)piperazine-2,5-dione
SMILESCCC(C)C1NC(=O)C(CC)N(C2CCOC2)C1=O
InChIInChI=1S/C14H24N2O3/c1-4-9(3)12-14(18)16(10-6-7-19-8-10)11(5-2)13(17)15-12/h9-12H,4-8H2,1-3H3,(H,15,17)
InChIKeyCRTVUEJITCYBMQ-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.93
Rot. Bonds4

About 3-butan-2-yl-6-ethyl-1-(oxolan-3-yl)piperazine-2,5-dione

3-butan-2-yl-6-ethyl-1-(oxolan-3-yl)piperazine-2,5-dione (PubChem CID 64902522) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-butan-2-yl-6-ethyl-1-(oxolan-3-yl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-butan-2-yl-6-ethyl-1-(oxolan-3-yl)piperazine-2,5-dione
PubChem CID64902522
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name3-butan-2-yl-6-ethyl-1-(oxolan-3-yl)piperazine-2,5-dione
SMILESCCC(C)C1NC(=O)C(CC)N(C2CCOC2)C1=O
InChIInChI=1S/C14H24N2O3/c1-4-9(3)12-14(18)16(10-6-7-19-8-10)11(5-2)13(17)15-12/h9-12H,4-8H2,1-3H3,(H,15,17)
InChIKeyCRTVUEJITCYBMQ-UHFFFAOYSA-N
XLogP0.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-butan-2-yl-6-ethyl-1-(oxolan-3-yl)piperazine-2,5-dione with MolForge

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Related Compounds

3-butan-2-yl-6-tert-butyl-1-(oxolan-3-yl)piperazine-2,5-dione
CID 64903462
3-butan-2-yl-7-methyl-1-(oxolan-3-yl)-1,4-diazepane-2,5-dione
CID 64882943
3-butan-2-yl-6-ethyl-1-(2,2,3,3-tetramethylcyclopropyl)piperazine-2,5-dione
CID 79360326
6-methyl-1-(oxolan-3-yl)-3-propan-2-ylpiperazine-2,5-dione
CID 64873851
1-cyclobutyl-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
CID 64969387
5-butan-2-yl-2-methyl-3-(oxan-3-yl)imidazolidin-4-one
CID 83264762
6-ethyl-1-(oxolan-3-yl)piperazine-2,5-dione
CID 64878893
1-cycloheptyl-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
CID 64960299
6-cyclopropyl-1-(oxolan-3-yl)-3-propan-2-ylpiperazine-2,5-dione
CID 64873601
3-tert-butyl-1-(oxolan-3-yl)-6-propylpiperazine-2,5-dione
CID 64902463
6-ethyl-1-(4-ethylcyclohexyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64964865
8-butan-2-yl-9-(oxolan-3-yl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64887421

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-6-ethyl-1-(oxolan-3-yl)piperazine-2,5-dione?
The IUPAC name of 3-butan-2-yl-6-ethyl-1-(oxolan-3-yl)piperazine-2,5-dione (CID 64902522) is 3-butan-2-yl-6-ethyl-1-(oxolan-3-yl)piperazine-2,5-dione.
What is the SMILES notation for 3-butan-2-yl-6-ethyl-1-(oxolan-3-yl)piperazine-2,5-dione?
The canonical SMILES for 3-butan-2-yl-6-ethyl-1-(oxolan-3-yl)piperazine-2,5-dione is CCC(C)C1NC(=O)C(CC)N(C2CCOC2)C1=O.
What is the InChIKey of 3-butan-2-yl-6-ethyl-1-(oxolan-3-yl)piperazine-2,5-dione?
The InChIKey is CRTVUEJITCYBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-4-9(3)12-14(18)16(10-6-7-19-8-10)11(5-2)13(17)15-12/h9-12H,4-8H2,1-3H3,(H,15,17).
What are the key properties of 3-butan-2-yl-6-ethyl-1-(oxolan-3-yl)piperazine-2,5-dione?
3-butan-2-yl-6-ethyl-1-(oxolan-3-yl)piperazine-2,5-dione has a molecular weight of 268.36 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-6-ethyl-1-(oxolan-3-yl)piperazine-2,5-dione is sourced from PubChem (CID 64902522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).