1-(oxan-3-ylmethyl)piperazine-2,5-dione

C10H16N2O3 — CID 64955690

IUPAC1-(oxan-3-ylmethyl)piperazine-2,5-dione
SMILESO=C1CN(CC2CCCOC2)C(=O)CN1
InChIInChI=1S/C10H16N2O3/c13-9-6-12(10(14)4-11-9)5-8-2-1-3-15-7-8/h8H,1-7H2,(H,11,13)
InChIKeyNGPCXWRXRJPYML-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.63
Rot. Bonds2

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

1-(oxan-3-ylmethyl)piperazine-2,5-dione (PubChem CID 64955690) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 1-(oxan-3-ylmethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-(oxan-3-ylmethyl)piperazine-2,5-dione
PubChem CID64955690
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name1-(oxan-3-ylmethyl)piperazine-2,5-dione
SMILESO=C1CN(CC2CCCOC2)C(=O)CN1
InChIInChI=1S/C10H16N2O3/c13-9-6-12(10(14)4-11-9)5-8-2-1-3-15-7-8/h8H,1-7H2,(H,11,13)
InChIKeyNGPCXWRXRJPYML-UHFFFAOYSA-N
XLogP-0.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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

1-(cyclobutylmethyl)piperazine-2,5-dione
CID 64956054
1-(oxan-3-ylmethyl)piperazin-2-one
CID 64566013
1-(oxolan-2-ylmethyl)piperazine-2,5-dione
CID 64872858
1-(oxan-3-yl)piperazine-2,5-dione
CID 64955997
1-(cyclohex-3-en-1-ylmethyl)piperazine-2,5-dione
CID 64955845
3,3-dimethyl-1-(oxan-3-ylmethyl)-1,4-diazepane-2,5-dione
CID 64967761
6-(aminomethyl)-4-(oxan-3-ylmethyl)morpholin-3-one
CID 115103056
6-(oxan-3-ylmethyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83249029
1-(oxolan-3-yl)piperazine-2,5-dione
CID 64873450
5-(aminomethyl)-4-(oxan-3-ylmethyl)morpholin-3-one
CID 115102750
2-(2-methylphenyl)-3-(oxan-3-ylmethyl)imidazolidin-4-one
CID 83248824
1-(cyclopentylmethyl)-3,3-diethylpiperazine-2,5-dione
CID 64884500

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-3-ylmethyl)piperazine-2,5-dione?
The IUPAC name of 1-(oxan-3-ylmethyl)piperazine-2,5-dione (CID 64955690) is 1-(oxan-3-ylmethyl)piperazine-2,5-dione.
What is the SMILES notation for 1-(oxan-3-ylmethyl)piperazine-2,5-dione?
The canonical SMILES for 1-(oxan-3-ylmethyl)piperazine-2,5-dione is O=C1CN(CC2CCCOC2)C(=O)CN1.
What is the InChIKey of 1-(oxan-3-ylmethyl)piperazine-2,5-dione?
The InChIKey is NGPCXWRXRJPYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c13-9-6-12(10(14)4-11-9)5-8-2-1-3-15-7-8/h8H,1-7H2,(H,11,13).
What are the key properties of 1-(oxan-3-ylmethyl)piperazine-2,5-dione?
1-(oxan-3-ylmethyl)piperazine-2,5-dione has a molecular weight of 212.25 g/mol, XLogP of -0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-3-ylmethyl)piperazine-2,5-dione is sourced from PubChem (CID 64955690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).