dipiperazin-1-yl oxalate

C10H18N4O4 — CID 57296724

IUPACdipiperazin-1-yl oxalate
SMILESO=C(ON1CCNCC1)C(=O)ON1CCNCC1
InChIInChI=1S/C10H18N4O4/c15-9(17-13-5-1-11-2-6-13)10(16)18-14-7-3-12-4-8-14/h11-12H,1-8H2
InChIKeyOYGYUWRGZOUMIH-UHFFFAOYSA-N
MW258.28 g/mol
LogP-2.29
Rot. Bonds2

About dipiperazin-1-yl oxalate

dipiperazin-1-yl oxalate (PubChem CID 57296724) has the molecular formula C10H18N4O4 and a molecular weight of 258.28 g/mol. Its IUPAC name is dipiperazin-1-yl oxalate.

Molecular Properties

Compound Namedipiperazin-1-yl oxalate
PubChem CID57296724
Molecular FormulaC10H18N4O4
Molecular Weight258.28 g/mol
Exact Mass258.13
IUPAC Namedipiperazin-1-yl oxalate
SMILESO=C(ON1CCNCC1)C(=O)ON1CCNCC1
InChIInChI=1S/C10H18N4O4/c15-9(17-13-5-1-11-2-6-13)10(16)18-14-7-3-12-4-8-14/h11-12H,1-8H2
InChIKeyOYGYUWRGZOUMIH-UHFFFAOYSA-N
XLogP-2.29
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 5-2.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dipiperazin-1-yl oxalate?
The IUPAC name of dipiperazin-1-yl oxalate (CID 57296724) is dipiperazin-1-yl oxalate.
What is the SMILES notation for dipiperazin-1-yl oxalate?
The canonical SMILES for dipiperazin-1-yl oxalate is O=C(ON1CCNCC1)C(=O)ON1CCNCC1.
What is the InChIKey of dipiperazin-1-yl oxalate?
The InChIKey is OYGYUWRGZOUMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O4/c15-9(17-13-5-1-11-2-6-13)10(16)18-14-7-3-12-4-8-14/h11-12H,1-8H2.
What are the key properties of dipiperazin-1-yl oxalate?
dipiperazin-1-yl oxalate has a molecular weight of 258.28 g/mol, XLogP of -2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dipiperazin-1-yl oxalate is sourced from PubChem (CID 57296724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).