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

C12H18N2O3 — CID 129499384

IUPAC(3R)-1-cyclopropyl-3-(oxan-4-yl)piperazine-2,5-dione
SMILESO=C1CN(C2CC2)C(=O)[C@@H](C2CCOCC2)N1
InChIInChI=1S/C12H18N2O3/c15-10-7-14(9-1-2-9)12(16)11(13-10)8-3-5-17-6-4-8/h8-9,11H,1-7H2,(H,13,15)/t11-/m1/s1
InChIKeyIYHHICXAGVSGKR-LLVKDONJSA-N
MW238.29 g/mol
LogP-0.10
Rot. Bonds2

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

(3R)-1-cyclopropyl-3-(oxan-4-yl)piperazine-2,5-dione (PubChem CID 129499384) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is (3R)-1-cyclopropyl-3-(oxan-4-yl)piperazine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-cyclopropyl-3-(oxan-4-yl)piperazine-2,5-dione
PubChem CID129499384
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name(3R)-1-cyclopropyl-3-(oxan-4-yl)piperazine-2,5-dione
SMILESO=C1CN(C2CC2)C(=O)[C@@H](C2CCOCC2)N1
InChIInChI=1S/C12H18N2O3/c15-10-7-14(9-1-2-9)12(16)11(13-10)8-3-5-17-6-4-8/h8-9,11H,1-7H2,(H,13,15)/t11-/m1/s1
InChIKeyIYHHICXAGVSGKR-LLVKDONJSA-N
XLogP-0.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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

(3R)-1-methyl-3-(oxan-4-yl)piperazine-2,5-dione
CID 129499724
3-cyclohexyl-1-(1,1-dioxothiolan-3-yl)piperazine-2,5-dione
CID 64957132
3-cyclopropyl-1-(2,2,3,3-tetramethylcyclopropyl)piperazine-2,5-dione
CID 79350646
3-cyclohexyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione
CID 64881332
1-cyclooctyl-3-cyclopropyl-1,4-diazepane-2,5-dione
CID 64956962
4-cyclopropyl-9-oxa-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 121207676
5-methyl-3-(oxan-4-yl)imidazolidin-4-one
CID 83244206
3-cyclopropyl-1-propylpiperazine-2,5-dione
CID 64879619
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-pentan-3-ylpiperazine-2,5-dione
CID 64958301
1-tert-butyl-3-cyclopropylpiperazine-2,5-dione
CID 64956164

Frequently Asked Questions

What is the IUPAC name of (3R)-1-cyclopropyl-3-(oxan-4-yl)piperazine-2,5-dione?
The IUPAC name of (3R)-1-cyclopropyl-3-(oxan-4-yl)piperazine-2,5-dione (CID 129499384) is (3R)-1-cyclopropyl-3-(oxan-4-yl)piperazine-2,5-dione.
What is the SMILES notation for (3R)-1-cyclopropyl-3-(oxan-4-yl)piperazine-2,5-dione?
The canonical SMILES for (3R)-1-cyclopropyl-3-(oxan-4-yl)piperazine-2,5-dione is O=C1CN(C2CC2)C(=O)[C@@H](C2CCOCC2)N1.
What is the InChIKey of (3R)-1-cyclopropyl-3-(oxan-4-yl)piperazine-2,5-dione?
The InChIKey is IYHHICXAGVSGKR-LLVKDONJSA-N. The full InChI is InChI=1S/C12H18N2O3/c15-10-7-14(9-1-2-9)12(16)11(13-10)8-3-5-17-6-4-8/h8-9,11H,1-7H2,(H,13,15)/t11-/m1/s1.
What are the key properties of (3R)-1-cyclopropyl-3-(oxan-4-yl)piperazine-2,5-dione?
(3R)-1-cyclopropyl-3-(oxan-4-yl)piperazine-2,5-dione has a molecular weight of 238.29 g/mol, XLogP of -0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-cyclopropyl-3-(oxan-4-yl)piperazine-2,5-dione is sourced from PubChem (CID 129499384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).