dipiperazin-1-yl butanedioate

C12H22N4O4 — CID 69276754

IUPACdipiperazin-1-yl butanedioate
SMILESO=C(CCC(=O)ON1CCNCC1)ON1CCNCC1
InChIInChI=1S/C12H22N4O4/c17-11(19-15-7-3-13-4-8-15)1-2-12(18)20-16-9-5-14-6-10-16/h13-14H,1-10H2
InChIKeyCWSBGWXAJJDHTE-UHFFFAOYSA-N
MW286.33 g/mol
LogP-1.51
Rot. Bonds5

About dipiperazin-1-yl butanedioate

dipiperazin-1-yl butanedioate (PubChem CID 69276754) has the molecular formula C12H22N4O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is dipiperazin-1-yl butanedioate.

Molecular Properties

Compound Namedipiperazin-1-yl butanedioate
PubChem CID69276754
Molecular FormulaC12H22N4O4
Molecular Weight286.33 g/mol
Exact Mass286.16
IUPAC Namedipiperazin-1-yl butanedioate
SMILESO=C(CCC(=O)ON1CCNCC1)ON1CCNCC1
InChIInChI=1S/C12H22N4O4/c17-11(19-15-7-3-13-4-8-15)1-2-12(18)20-16-9-5-14-6-10-16/h13-14H,1-10H2
InChIKeyCWSBGWXAJJDHTE-UHFFFAOYSA-N
XLogP-1.51
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 5-1.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of dipiperazin-1-yl butanedioate?
The IUPAC name of dipiperazin-1-yl butanedioate (CID 69276754) is dipiperazin-1-yl butanedioate.
What is the SMILES notation for dipiperazin-1-yl butanedioate?
The canonical SMILES for dipiperazin-1-yl butanedioate is O=C(CCC(=O)ON1CCNCC1)ON1CCNCC1.
What is the InChIKey of dipiperazin-1-yl butanedioate?
The InChIKey is CWSBGWXAJJDHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O4/c17-11(19-15-7-3-13-4-8-15)1-2-12(18)20-16-9-5-14-6-10-16/h13-14H,1-10H2.
What are the key properties of dipiperazin-1-yl butanedioate?
dipiperazin-1-yl butanedioate has a molecular weight of 286.33 g/mol, XLogP of -1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dipiperazin-1-yl butanedioate is sourced from PubChem (CID 69276754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).