(3R)-1-methyl-3-(oxan-4-yl)piperazine-2,5-dione

C10H16N2O3 — CID 129499724

IUPAC(3R)-1-methyl-3-(oxan-4-yl)piperazine-2,5-dione
SMILESCN1CC(=O)N[C@H](C2CCOCC2)C1=O
InChIInChI=1S/C10H16N2O3/c1-12-6-8(13)11-9(10(12)14)7-2-4-15-5-3-7/h7,9H,2-6H2,1H3,(H,11,13)/t9-/m1/s1
InChIKeyLJNADDZSBLZTEW-SECBINFHSA-N
MW212.25 g/mol
LogP-0.63
Rot. Bonds1

About (3R)-1-methyl-3-(oxan-4-yl)piperazine-2,5-dione

(3R)-1-methyl-3-(oxan-4-yl)piperazine-2,5-dione (PubChem CID 129499724) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is (3R)-1-methyl-3-(oxan-4-yl)piperazine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-methyl-3-(oxan-4-yl)piperazine-2,5-dione
PubChem CID129499724
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name(3R)-1-methyl-3-(oxan-4-yl)piperazine-2,5-dione
SMILESCN1CC(=O)N[C@H](C2CCOCC2)C1=O
InChIInChI=1S/C10H16N2O3/c1-12-6-8(13)11-9(10(12)14)7-2-4-15-5-3-7/h7,9H,2-6H2,1H3,(H,11,13)/t9-/m1/s1
InChIKeyLJNADDZSBLZTEW-SECBINFHSA-N
XLogP-0.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-cyclopropyl-3-(oxan-4-yl)piperazine-2,5-dione
CID 129499384
3-cyclohexyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione
CID 64881332
3-cyclopropyl-1-propylpiperazine-2,5-dione
CID 64879619
1-tert-butyl-3-cyclopropylpiperazine-2,5-dione
CID 64956164
3-cyclopropyl-1-propan-2-ylpiperazine-2,5-dione
CID 64879421
3-cyclopropyl-1-[(4-methylmorpholin-2-yl)methyl]piperazine-2,5-dione
CID 79077020
3-butan-2-yl-1-methylpiperazine-2,5-dione
CID 64880533
3-ethyl-1-methylpiperazine-2,5-dione
CID 64880969
3-cyclopropyl-1-(2,2,3,3-tetramethylcyclopropyl)piperazine-2,5-dione
CID 79350646
3-cyclopropyl-1-(3-methylbutan-2-yl)piperazine-2,5-dione
CID 64959665
3-cyclopropyl-1-(3-methylpentan-3-yl)piperazine-2,5-dione
CID 106329083
3-cyclopropyl-1-(2-methylpropyl)piperazine-2,5-dione
CID 64881556

Frequently Asked Questions

What is the IUPAC name of (3R)-1-methyl-3-(oxan-4-yl)piperazine-2,5-dione?
The IUPAC name of (3R)-1-methyl-3-(oxan-4-yl)piperazine-2,5-dione (CID 129499724) is (3R)-1-methyl-3-(oxan-4-yl)piperazine-2,5-dione.
What is the SMILES notation for (3R)-1-methyl-3-(oxan-4-yl)piperazine-2,5-dione?
The canonical SMILES for (3R)-1-methyl-3-(oxan-4-yl)piperazine-2,5-dione is CN1CC(=O)N[C@H](C2CCOCC2)C1=O.
What is the InChIKey of (3R)-1-methyl-3-(oxan-4-yl)piperazine-2,5-dione?
The InChIKey is LJNADDZSBLZTEW-SECBINFHSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-12-6-8(13)11-9(10(12)14)7-2-4-15-5-3-7/h7,9H,2-6H2,1H3,(H,11,13)/t9-/m1/s1.
What are the key properties of (3R)-1-methyl-3-(oxan-4-yl)piperazine-2,5-dione?
(3R)-1-methyl-3-(oxan-4-yl)piperazine-2,5-dione has a molecular weight of 212.25 g/mol, XLogP of -0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-methyl-3-(oxan-4-yl)piperazine-2,5-dione is sourced from PubChem (CID 129499724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).