3-cyclopropyl-1-[(4-methylmorpholin-2-yl)methyl]piperazine-2,5-dione

C13H21N3O3 — CID 79077020

IUPAC3-cyclopropyl-1-[(4-methylmorpholin-2-yl)methyl]piperazine-2,5-dione
SMILESCN1CCOC(CN2CC(=O)NC(C3CC3)C2=O)C1
InChIInChI=1S/C13H21N3O3/c1-15-4-5-19-10(6-15)7-16-8-11(17)14-12(13(16)18)9-2-3-9/h9-10,12H,2-8H2,1H3,(H,14,17)
InChIKeyCKEFCLZUBUIWHO-UHFFFAOYSA-N
MW267.33 g/mol
LogP-0.95
Rot. Bonds3

About 3-cyclopropyl-1-[(4-methylmorpholin-2-yl)methyl]piperazine-2,5-dione

3-cyclopropyl-1-[(4-methylmorpholin-2-yl)methyl]piperazine-2,5-dione (PubChem CID 79077020) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-cyclopropyl-1-[(4-methylmorpholin-2-yl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-1-[(4-methylmorpholin-2-yl)methyl]piperazine-2,5-dione
PubChem CID79077020
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name3-cyclopropyl-1-[(4-methylmorpholin-2-yl)methyl]piperazine-2,5-dione
SMILESCN1CCOC(CN2CC(=O)NC(C3CC3)C2=O)C1
InChIInChI=1S/C13H21N3O3/c1-15-4-5-19-10(6-15)7-16-8-11(17)14-12(13(16)18)9-2-3-9/h9-10,12H,2-8H2,1H3,(H,14,17)
InChIKeyCKEFCLZUBUIWHO-UHFFFAOYSA-N
XLogP-0.95
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-[(4-methylmorpholin-2-yl)methyl]piperazine-2,5-dione
CID 79078126
3-cyclopropyl-1-(oxolan-2-ylmethyl)piperazine-2,5-dione
CID 64879241
3-cyclopropyl-1-[(1,4-dimethylpiperazin-2-yl)methyl]piperazine-2,5-dione
CID 64971745
1-[(4-methylmorpholin-2-yl)methyl]-1,3-diazinane-2,4-dione
CID 79777308
3-cyclopropyl-1-propylpiperazine-2,5-dione
CID 64879619
4-hydroxy-1-[(4-methylmorpholin-2-yl)methyl]pyrrolidin-2-one
CID 79071600
5-methyl-1-[(4-methylmorpholin-2-yl)methyl]-1,3-diazinane-2,4-dione
CID 79777205
3-cyclohexyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione
CID 64881332
3-(ethylamino)-1-[(4-methylmorpholin-2-yl)methyl]pyrrolidin-2-one
CID 79071630
3-cyclopropyl-1-[(1-methylpiperidin-3-yl)methyl]-1,4-diazepane-2,5-dione
CID 64967452
3-cyclopropyl-1-(2-methylpropyl)piperazine-2,5-dione
CID 64881556
3-[(4-methylmorpholin-2-yl)methyl]imidazolidine-2,4-dione
CID 103936187

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-[(4-methylmorpholin-2-yl)methyl]piperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-1-[(4-methylmorpholin-2-yl)methyl]piperazine-2,5-dione (CID 79077020) is 3-cyclopropyl-1-[(4-methylmorpholin-2-yl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-1-[(4-methylmorpholin-2-yl)methyl]piperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-1-[(4-methylmorpholin-2-yl)methyl]piperazine-2,5-dione is CN1CCOC(CN2CC(=O)NC(C3CC3)C2=O)C1.
What is the InChIKey of 3-cyclopropyl-1-[(4-methylmorpholin-2-yl)methyl]piperazine-2,5-dione?
The InChIKey is CKEFCLZUBUIWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-15-4-5-19-10(6-15)7-16-8-11(17)14-12(13(16)18)9-2-3-9/h9-10,12H,2-8H2,1H3,(H,14,17).
What are the key properties of 3-cyclopropyl-1-[(4-methylmorpholin-2-yl)methyl]piperazine-2,5-dione?
3-cyclopropyl-1-[(4-methylmorpholin-2-yl)methyl]piperazine-2,5-dione has a molecular weight of 267.33 g/mol, XLogP of -0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-[(4-methylmorpholin-2-yl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 79077020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).