3-(2-methylpropyl)-1-(1,2,4-oxadiazol-3-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione

C14H22N4O3 — CID 106409462

IUPAC3-(2-methylpropyl)-1-(1,2,4-oxadiazol-3-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)CC1NC(=O)C(C(C)C)N(Cc2ncon2)C1=O
InChIInChI=1S/C14H22N4O3/c1-8(2)5-10-14(20)18(6-11-15-7-21-17-11)12(9(3)4)13(19)16-10/h7-10,12H,5-6H2,1-4H3,(H,16,19)
InChIKeyIXGCFEWWKCAXKJ-UHFFFAOYSA-N
MW294.36 g/mol
LogP0.97
Rot. Bonds5

About 3-(2-methylpropyl)-1-(1,2,4-oxadiazol-3-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione

3-(2-methylpropyl)-1-(1,2,4-oxadiazol-3-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 106409462) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is 3-(2-methylpropyl)-1-(1,2,4-oxadiazol-3-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-(2-methylpropyl)-1-(1,2,4-oxadiazol-3-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione
PubChem CID106409462
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Name3-(2-methylpropyl)-1-(1,2,4-oxadiazol-3-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)CC1NC(=O)C(C(C)C)N(Cc2ncon2)C1=O
InChIInChI=1S/C14H22N4O3/c1-8(2)5-10-14(20)18(6-11-15-7-21-17-11)12(9(3)4)13(19)16-10/h7-10,12H,5-6H2,1-4H3,(H,16,19)
InChIKeyIXGCFEWWKCAXKJ-UHFFFAOYSA-N
XLogP0.97
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(2-methylpropyl)-1-(1,2,4-oxadiazol-3-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione with MolForge

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Related Compounds

1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 106409730
6-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)-3-propylpiperazine-2,5-dione
CID 114185263
3-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 106409230
1-(2-ethoxyethyl)-3-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64903642
3-ethyl-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 106376935
3-(2-methylpropyl)-6-propan-2-yl-1-(2-prop-2-enylsulfanylethyl)piperazine-2,5-dione
CID 106432930
3-ethyl-1-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64901263
1,3,6-tris(2-methylpropyl)piperazine-2,5-dione
CID 64902684
6-methyl-1,3-bis(2-methylpropyl)piperazine-2,5-dione
CID 64900761
1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3,6-di(propan-2-yl)piperazine-2,5-dione
CID 106409291
6-butan-2-yl-3-ethyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione
CID 64902418
3-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 106409247

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-1-(1,2,4-oxadiazol-3-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 3-(2-methylpropyl)-1-(1,2,4-oxadiazol-3-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione (CID 106409462) is 3-(2-methylpropyl)-1-(1,2,4-oxadiazol-3-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 3-(2-methylpropyl)-1-(1,2,4-oxadiazol-3-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 3-(2-methylpropyl)-1-(1,2,4-oxadiazol-3-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione is CC(C)CC1NC(=O)C(C(C)C)N(Cc2ncon2)C1=O.
What is the InChIKey of 3-(2-methylpropyl)-1-(1,2,4-oxadiazol-3-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is IXGCFEWWKCAXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-8(2)5-10-14(20)18(6-11-15-7-21-17-11)12(9(3)4)13(19)16-10/h7-10,12H,5-6H2,1-4H3,(H,16,19).
What are the key properties of 3-(2-methylpropyl)-1-(1,2,4-oxadiazol-3-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione?
3-(2-methylpropyl)-1-(1,2,4-oxadiazol-3-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 294.36 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-1-(1,2,4-oxadiazol-3-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 106409462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).