3-cyclopropyl-1-(oxolan-2-ylmethyl)piperazine-2,5-dione

C12H18N2O3 — CID 64879241

IUPAC3-cyclopropyl-1-(oxolan-2-ylmethyl)piperazine-2,5-dione
SMILESO=C1CN(CC2CCCO2)C(=O)C(C2CC2)N1
InChIInChI=1S/C12H18N2O3/c15-10-7-14(6-9-2-1-5-17-9)12(16)11(13-10)8-3-4-8/h8-9,11H,1-7H2,(H,13,15)
InChIKeyGKSUXJRTKGEUKP-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.10
Rot. Bonds3

About 3-cyclopropyl-1-(oxolan-2-ylmethyl)piperazine-2,5-dione

3-cyclopropyl-1-(oxolan-2-ylmethyl)piperazine-2,5-dione (PubChem CID 64879241) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-cyclopropyl-1-(oxolan-2-ylmethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-1-(oxolan-2-ylmethyl)piperazine-2,5-dione
PubChem CID64879241
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name3-cyclopropyl-1-(oxolan-2-ylmethyl)piperazine-2,5-dione
SMILESO=C1CN(CC2CCCO2)C(=O)C(C2CC2)N1
InChIInChI=1S/C12H18N2O3/c15-10-7-14(6-9-2-1-5-17-9)12(16)11(13-10)8-3-4-8/h8-9,11H,1-7H2,(H,13,15)
InChIKeyGKSUXJRTKGEUKP-UHFFFAOYSA-N
XLogP-0.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-1-[(4-methylmorpholin-2-yl)methyl]piperazine-2,5-dione
CID 79077020
1-(oxolan-2-ylmethyl)piperazine-2,5-dione
CID 64872858
3-cyclohexyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione
CID 64881332
3-(2-methylpropyl)-1-(oxan-2-ylmethyl)piperazine-2,5-dione
CID 64879773
3-cyclopropyl-6-methyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione
CID 64886563
3-cyclopropyl-1-(2-methylpropyl)piperazine-2,5-dione
CID 64881556
3-cyclopropyl-6-ethyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione
CID 64885044
3-methyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione
CID 65170302
3-cyclohexyl-1-(thiolan-2-ylmethyl)piperazine-2,5-dione
CID 80586867
3-cyclopropyl-1-[(1,4-dimethylpiperazin-2-yl)methyl]piperazine-2,5-dione
CID 64971745
1-[(E)-3-chloroprop-2-enyl]-3-cyclopropylpiperazine-2,5-dione
CID 107902448
3-methyl-1-[(4-methylmorpholin-2-yl)methyl]piperazine-2,5-dione
CID 79078126

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(oxolan-2-ylmethyl)piperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-1-(oxolan-2-ylmethyl)piperazine-2,5-dione (CID 64879241) is 3-cyclopropyl-1-(oxolan-2-ylmethyl)piperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-1-(oxolan-2-ylmethyl)piperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-1-(oxolan-2-ylmethyl)piperazine-2,5-dione is O=C1CN(CC2CCCO2)C(=O)C(C2CC2)N1.
What is the InChIKey of 3-cyclopropyl-1-(oxolan-2-ylmethyl)piperazine-2,5-dione?
The InChIKey is GKSUXJRTKGEUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c15-10-7-14(6-9-2-1-5-17-9)12(16)11(13-10)8-3-4-8/h8-9,11H,1-7H2,(H,13,15).
What are the key properties of 3-cyclopropyl-1-(oxolan-2-ylmethyl)piperazine-2,5-dione?
3-cyclopropyl-1-(oxolan-2-ylmethyl)piperazine-2,5-dione has a molecular weight of 238.29 g/mol, XLogP of -0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(oxolan-2-ylmethyl)piperazine-2,5-dione is sourced from PubChem (CID 64879241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).