piperidine-2,6-dione;terephthalic acid

C13H13NO6 — CID 175551012

IUPACpiperidine-2,6-dione;terephthalic acid
SMILESO=C(O)c1ccc(C(=O)O)cc1.O=C1CCCC(=O)N1
InChIInChI=1S/C8H6O4.C5H7NO2/c9-7(10)5-1-2-6(4-3-5)8(11)12;7-4-2-1-3-5(8)6-4/h1-4H,(H,9,10)(H,11,12);1-3H2,(H,6,7,8)
InChIKeyWZZIEGIGDBTYRH-UHFFFAOYSA-N
MW279.25 g/mol
LogP0.90
Rot. Bonds2

About piperidine-2,6-dione;terephthalic acid

piperidine-2,6-dione;terephthalic acid (PubChem CID 175551012) has the molecular formula C13H13NO6 and a molecular weight of 279.25 g/mol. Its IUPAC name is piperidine-2,6-dione;terephthalic acid.

Molecular Properties

Compound Namepiperidine-2,6-dione;terephthalic acid
PubChem CID175551012
Molecular FormulaC13H13NO6
Molecular Weight279.25 g/mol
Exact Mass279.07
IUPAC Namepiperidine-2,6-dione;terephthalic acid
SMILESO=C(O)c1ccc(C(=O)O)cc1.O=C1CCCC(=O)N1
InChIInChI=1S/C8H6O4.C5H7NO2/c9-7(10)5-1-2-6(4-3-5)8(11)12;7-4-2-1-3-5(8)6-4/h1-4H,(H,9,10)(H,11,12);1-3H2,(H,6,7,8)
InChIKeyWZZIEGIGDBTYRH-UHFFFAOYSA-N
XLogP0.90
TPSA120.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.25
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-fluorobenzoic acid;pyrrolidine-2,5-dione
CID 174629603
4-azidobenzoic acid;pyrrolidine-2,5-dione
CID 19083385
sodium piperidine-2,6-dione
CID 22619648
benzenesulfonic acid;piperidine-2,6-dione
CID 87079536
terephthalic acid
CID 160582437
furan-2,3-dicarboxylic acid;piperidine-2,6-dione
CID 175955760
piperidine-2,6-dione;prop-2-enoic acid
CID 69098530
2,3-dihydro-1H-indene-4,7-dicarboxylic acid;terephthalic acid
CID 69347798
pentanedioic acid;piperidine-2,6-dione
CID 175379041
terephthalic acid;dihydrofluoride
CID 70485309
chromium;terephthalic acid
CID 87187082
bismuthane;terephthalic acid
CID 173299583

Frequently Asked Questions

What is the IUPAC name of piperidine-2,6-dione;terephthalic acid?
The IUPAC name of piperidine-2,6-dione;terephthalic acid (CID 175551012) is piperidine-2,6-dione;terephthalic acid.
What is the SMILES notation for piperidine-2,6-dione;terephthalic acid?
The canonical SMILES for piperidine-2,6-dione;terephthalic acid is O=C(O)c1ccc(C(=O)O)cc1.O=C1CCCC(=O)N1.
What is the InChIKey of piperidine-2,6-dione;terephthalic acid?
The InChIKey is WZZIEGIGDBTYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O4.C5H7NO2/c9-7(10)5-1-2-6(4-3-5)8(11)12;7-4-2-1-3-5(8)6-4/h1-4H,(H,9,10)(H,11,12);1-3H2,(H,6,7,8).
What are the key properties of piperidine-2,6-dione;terephthalic acid?
piperidine-2,6-dione;terephthalic acid has a molecular weight of 279.25 g/mol, XLogP of 0.90, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidine-2,6-dione;terephthalic acid is sourced from PubChem (CID 175551012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).