1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6-propan-2-yl-3-propylpiperazine-2,5-dione

C14H22N4O3 — CID 106409730

IUPAC1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6-propan-2-yl-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(C(C)C)N(CCc2ncon2)C1=O
InChIInChI=1S/C14H22N4O3/c1-4-5-10-14(20)18(7-6-11-15-8-21-17-11)12(9(2)3)13(19)16-10/h8-10,12H,4-7H2,1-3H3,(H,16,19)
InChIKeyTXCJTIKUTMVXNG-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.76
Rot. Bonds6

About 1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6-propan-2-yl-3-propylpiperazine-2,5-dione

1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6-propan-2-yl-3-propylpiperazine-2,5-dione (PubChem CID 106409730) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6-propan-2-yl-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6-propan-2-yl-3-propylpiperazine-2,5-dione
PubChem CID106409730
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6-propan-2-yl-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(C(C)C)N(CCc2ncon2)C1=O
InChIInChI=1S/C14H22N4O3/c1-4-5-10-14(20)18(7-6-11-15-8-21-17-11)12(9(2)3)13(19)16-10/h8-10,12H,4-7H2,1-3H3,(H,16,19)
InChIKeyTXCJTIKUTMVXNG-UHFFFAOYSA-N
XLogP0.76
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6-propan-2-yl-3-propylpiperazine-2,5-dione with MolForge

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Related Compounds

6-ethyl-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-propylpiperazine-2,5-dione
CID 106409675
3-(2-methylpropyl)-1-(1,2,4-oxadiazol-3-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione
CID 106409462
6-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)-3-propylpiperazine-2,5-dione
CID 114185263
6-propan-2-yl-3-propyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione
CID 64873759
1-(3-ethoxypropyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64958653
1-(3-methoxypropyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64872775
3-ethyl-6-propan-2-yl-1-[2-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione
CID 64970383
1-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64966326
1-tert-butyl-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64956085
1-(2-but-3-enoxyethyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 106409860
6-propan-2-yl-3-propyl-1-(pyridin-3-ylmethyl)piperazine-2,5-dione
CID 64872578
1-(3-ethylpentan-2-yl)-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64971646

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6-propan-2-yl-3-propylpiperazine-2,5-dione?
The IUPAC name of 1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6-propan-2-yl-3-propylpiperazine-2,5-dione (CID 106409730) is 1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6-propan-2-yl-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6-propan-2-yl-3-propylpiperazine-2,5-dione?
The canonical SMILES for 1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6-propan-2-yl-3-propylpiperazine-2,5-dione is CCCC1NC(=O)C(C(C)C)N(CCc2ncon2)C1=O.
What is the InChIKey of 1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6-propan-2-yl-3-propylpiperazine-2,5-dione?
The InChIKey is TXCJTIKUTMVXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-4-5-10-14(20)18(7-6-11-15-8-21-17-11)12(9(2)3)13(19)16-10/h8-10,12H,4-7H2,1-3H3,(H,16,19).
What are the key properties of 1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6-propan-2-yl-3-propylpiperazine-2,5-dione?
1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6-propan-2-yl-3-propylpiperazine-2,5-dione has a molecular weight of 294.35 g/mol, XLogP of 0.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6-propan-2-yl-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 106409730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).