1-(oxan-3-yl)-3-propylpiperazine-2,5-dione

C12H20N2O3 — CID 64971351

IUPAC1-(oxan-3-yl)-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)CN(C2CCCOC2)C1=O
InChIInChI=1S/C12H20N2O3/c1-2-4-10-12(16)14(7-11(15)13-10)9-5-3-6-17-8-9/h9-10H,2-8H2,1H3,(H,13,15)
InChIKeyAMIIYIIGMQNPEC-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.29
Rot. Bonds3

About 1-(oxan-3-yl)-3-propylpiperazine-2,5-dione

1-(oxan-3-yl)-3-propylpiperazine-2,5-dione (PubChem CID 64971351) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-(oxan-3-yl)-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(oxan-3-yl)-3-propylpiperazine-2,5-dione
PubChem CID64971351
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name1-(oxan-3-yl)-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)CN(C2CCCOC2)C1=O
InChIInChI=1S/C12H20N2O3/c1-2-4-10-12(16)14(7-11(15)13-10)9-5-3-6-17-8-9/h9-10H,2-8H2,1H3,(H,13,15)
InChIKeyAMIIYIIGMQNPEC-UHFFFAOYSA-N
XLogP0.29
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(oxan-3-yl)piperazine-2,5-dione
CID 64955997
1-(1,1-dioxothian-3-yl)-3-propylpiperazine-2,5-dione
CID 64971666
1-(4,4-dimethylcyclohexyl)-3-propylpiperazine-2,5-dione
CID 64972911
3-propyl-1-(thiolan-3-yl)piperazine-2,5-dione
CID 103065086
1-cycloheptyl-3-ethylpiperazine-2,5-dione
CID 64960288
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-3-propylpiperazine-2,5-dione
CID 79071094
3-(oxan-3-yl)-5-propan-2-yl-2-propylimidazolidin-4-one
CID 83263063
1-butyl-3-propylpiperazine-2,5-dione
CID 64879982
3-(oxan-3-yl)-5-propyl-2-thiophen-3-ylimidazolidin-4-one
CID 83263879
3-(oxolan-3-yl)-2,5-dipropylimidazolidin-4-one
CID 83271242
5-butyl-3-(oxan-3-yl)-2-propan-2-ylimidazolidin-4-one
CID 83262754
1-(1-methylcyclohexyl)-3-propylpiperazine-2,5-dione
CID 64968246

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-3-yl)-3-propylpiperazine-2,5-dione?
The IUPAC name of 1-(oxan-3-yl)-3-propylpiperazine-2,5-dione (CID 64971351) is 1-(oxan-3-yl)-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-(oxan-3-yl)-3-propylpiperazine-2,5-dione?
The canonical SMILES for 1-(oxan-3-yl)-3-propylpiperazine-2,5-dione is CCCC1NC(=O)CN(C2CCCOC2)C1=O.
What is the InChIKey of 1-(oxan-3-yl)-3-propylpiperazine-2,5-dione?
The InChIKey is AMIIYIIGMQNPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-2-4-10-12(16)14(7-11(15)13-10)9-5-3-6-17-8-9/h9-10H,2-8H2,1H3,(H,13,15).
What are the key properties of 1-(oxan-3-yl)-3-propylpiperazine-2,5-dione?
1-(oxan-3-yl)-3-propylpiperazine-2,5-dione has a molecular weight of 240.30 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-3-yl)-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 64971351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).