but-2-enedioic acid;piperazine

C12H24N4O4 — CID 173189024

IUPACbut-2-enedioic acid;piperazine
SMILESC1CNCCN1.C1CNCCN1.O=C(O)C=CC(=O)O
InChIInChI=1S/2C4H10N2.C4H4O4/c2*1-2-6-4-3-5-1;5-3(6)1-2-4(7)8/h2*5-6H,1-4H2;1-2H,(H,5,6)(H,7,8)
InChIKeyRXWWBTPHAHOPHK-UHFFFAOYSA-N
MW288.35 g/mol
LogP-1.93
Rot. Bonds2

About but-2-enedioic acid;piperazine

but-2-enedioic acid;piperazine (PubChem CID 173189024) has the molecular formula C12H24N4O4 and a molecular weight of 288.35 g/mol. Its IUPAC name is but-2-enedioic acid;piperazine.

Molecular Properties

Compound Namebut-2-enedioic acid;piperazine
PubChem CID173189024
Molecular FormulaC12H24N4O4
Molecular Weight288.35 g/mol
Exact Mass288.18
IUPAC Namebut-2-enedioic acid;piperazine
SMILESC1CNCCN1.C1CNCCN1.O=C(O)C=CC(=O)O
InChIInChI=1S/2C4H10N2.C4H4O4/c2*1-2-6-4-3-5-1;5-3(6)1-2-4(7)8/h2*5-6H,1-4H2;1-2H,(H,5,6)(H,7,8)
InChIKeyRXWWBTPHAHOPHK-UHFFFAOYSA-N
XLogP-1.93
TPSA122.72 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.35
LogP ≤ 5-1.93
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-but-2-enedioic acid;copper(1+)
CID 139263227
(E)-but-2-enedioic acid;iron
CID 5478817
(Z)-but-2-enedioic acid;manganese
CID 87121555
CID 87073039
CID 87073039
(Z)-but-2-enedioic acid;nickel
CID 24883656
tris(but-2-enedioic acid);hydrate
CID 173409563
(Z)-but-2-enedioic acid;hydrate
CID 86620054
CID 76552400
CID 76552400
azane;bis((E)-but-2-enedioic acid)
CID 87996706
but-2-enedioic acid;dihydrate
CID 76541248
(Z)-but-2-enedioic acid;gold
CID 174837134
(Z)-but-2-enedioic acid;neodymium
CID 87072249

Frequently Asked Questions

What is the IUPAC name of but-2-enedioic acid;piperazine?
The IUPAC name of but-2-enedioic acid;piperazine (CID 173189024) is but-2-enedioic acid;piperazine.
What is the SMILES notation for but-2-enedioic acid;piperazine?
The canonical SMILES for but-2-enedioic acid;piperazine is C1CNCCN1.C1CNCCN1.O=C(O)C=CC(=O)O.
What is the InChIKey of but-2-enedioic acid;piperazine?
The InChIKey is RXWWBTPHAHOPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H10N2.C4H4O4/c2*1-2-6-4-3-5-1;5-3(6)1-2-4(7)8/h2*5-6H,1-4H2;1-2H,(H,5,6)(H,7,8).
What are the key properties of but-2-enedioic acid;piperazine?
but-2-enedioic acid;piperazine has a molecular weight of 288.35 g/mol, XLogP of -1.93, 2 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-enedioic acid;piperazine is sourced from PubChem (CID 173189024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).