3-cyclopropyl-6-methyl-1-[1-(oxolan-2-yl)ethyl]piperazine-2,5-dione

C14H22N2O3 — CID 64960448

IUPAC3-cyclopropyl-6-methyl-1-[1-(oxolan-2-yl)ethyl]piperazine-2,5-dione
SMILESCC1C(=O)NC(C2CC2)C(=O)N1C(C)C1CCCO1
InChIInChI=1S/C14H22N2O3/c1-8(11-4-3-7-19-11)16-9(2)13(17)15-12(14(16)18)10-5-6-10/h8-12H,3-7H2,1-2H3,(H,15,17)
InChIKeyBXIYKWYONVSVQD-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.68
Rot. Bonds3

About 3-cyclopropyl-6-methyl-1-[1-(oxolan-2-yl)ethyl]piperazine-2,5-dione

3-cyclopropyl-6-methyl-1-[1-(oxolan-2-yl)ethyl]piperazine-2,5-dione (PubChem CID 64960448) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-cyclopropyl-6-methyl-1-[1-(oxolan-2-yl)ethyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-6-methyl-1-[1-(oxolan-2-yl)ethyl]piperazine-2,5-dione
PubChem CID64960448
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name3-cyclopropyl-6-methyl-1-[1-(oxolan-2-yl)ethyl]piperazine-2,5-dione
SMILESCC1C(=O)NC(C2CC2)C(=O)N1C(C)C1CCCO1
InChIInChI=1S/C14H22N2O3/c1-8(11-4-3-7-19-11)16-9(2)13(17)15-12(14(16)18)10-5-6-10/h8-12H,3-7H2,1-2H3,(H,15,17)
InChIKeyBXIYKWYONVSVQD-UHFFFAOYSA-N
XLogP0.68
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-cyclohexylethyl)-3-cyclopropyl-6-methylpiperazine-2,5-dione
CID 64969309
3-cyclopropyl-6-methyl-1-propan-2-ylpiperazine-2,5-dione
CID 64885420
3-cyclohexyl-6-methyl-1-propan-2-ylpiperazine-2,5-dione
CID 64887376
5-methyl-3-[1-(oxolan-2-yl)ethyl]imidazolidin-4-one
CID 83244374
5-methyl-3-[1-(oxolan-2-yl)ethyl]-2-propan-2-ylimidazolidin-4-one
CID 83243781
2-ethyl-3-[1-(oxolan-2-yl)ethyl]imidazolidin-4-one
CID 83244288
1-[1-(oxolan-2-yl)ethyl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione
CID 112599321
6-ethyl-1-[1-(oxolan-2-yl)ethyl]-3-propylpiperazine-2,5-dione
CID 64960557
2-methyl-5-(2-methylpropyl)-3-[1-(oxolan-2-yl)ethyl]imidazolidin-4-one
CID 83243387
2-methyl-3-[1-(oxolan-2-yl)ethyl]-5-propylimidazolidin-4-one
CID 83243306
5-butan-2-yl-2-ethyl-3-[1-(oxolan-2-yl)ethyl]imidazolidin-4-one
CID 83243866
1-but-3-yn-2-yl-3-cyclohexyl-6-methylpiperazine-2,5-dione
CID 114420569

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-methyl-1-[1-(oxolan-2-yl)ethyl]piperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-6-methyl-1-[1-(oxolan-2-yl)ethyl]piperazine-2,5-dione (CID 64960448) is 3-cyclopropyl-6-methyl-1-[1-(oxolan-2-yl)ethyl]piperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-6-methyl-1-[1-(oxolan-2-yl)ethyl]piperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-6-methyl-1-[1-(oxolan-2-yl)ethyl]piperazine-2,5-dione is CC1C(=O)NC(C2CC2)C(=O)N1C(C)C1CCCO1.
What is the InChIKey of 3-cyclopropyl-6-methyl-1-[1-(oxolan-2-yl)ethyl]piperazine-2,5-dione?
The InChIKey is BXIYKWYONVSVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-8(11-4-3-7-19-11)16-9(2)13(17)15-12(14(16)18)10-5-6-10/h8-12H,3-7H2,1-2H3,(H,15,17).
What are the key properties of 3-cyclopropyl-6-methyl-1-[1-(oxolan-2-yl)ethyl]piperazine-2,5-dione?
3-cyclopropyl-6-methyl-1-[1-(oxolan-2-yl)ethyl]piperazine-2,5-dione has a molecular weight of 266.34 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-methyl-1-[1-(oxolan-2-yl)ethyl]piperazine-2,5-dione is sourced from PubChem (CID 64960448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).