1-piperidin-4-ylpyrrolidine-2,5-dione;2,2,2-trifluoroacetic acid

C11H15F3N2O4 — CID 135145004

IUPAC1-piperidin-4-ylpyrrolidine-2,5-dione;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C1CCC(=O)N1C1CCNCC1
InChIInChI=1S/C9H14N2O2.C2HF3O2/c12-8-1-2-9(13)11(8)7-3-5-10-6-4-7;3-2(4,5)1(6)7/h7,10H,1-6H2;(H,6,7)
InChIKeyYKXPPMSKLPIPAH-UHFFFAOYSA-N
MW296.25 g/mol
LogP0.52
Rot. Bonds1

About 1-piperidin-4-ylpyrrolidine-2,5-dione;2,2,2-trifluoroacetic acid

1-piperidin-4-ylpyrrolidine-2,5-dione;2,2,2-trifluoroacetic acid (PubChem CID 135145004) has the molecular formula C11H15F3N2O4 and a molecular weight of 296.25 g/mol. Its IUPAC name is 1-piperidin-4-ylpyrrolidine-2,5-dione;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-piperidin-4-ylpyrrolidine-2,5-dione;2,2,2-trifluoroacetic acid
PubChem CID135145004
Molecular FormulaC11H15F3N2O4
Molecular Weight296.25 g/mol
Exact Mass296.10
IUPAC Name1-piperidin-4-ylpyrrolidine-2,5-dione;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C1CCC(=O)N1C1CCNCC1
InChIInChI=1S/C9H14N2O2.C2HF3O2/c12-8-1-2-9(13)11(8)7-3-5-10-6-4-7;3-2(4,5)1(6)7/h7,10H,1-6H2;(H,6,7)
InChIKeyYKXPPMSKLPIPAH-UHFFFAOYSA-N
XLogP0.52
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-piperidin-4-ylpyrrolidine-2,5-dione;hydrochloride
CID 20556253
4-piperidin-4-yl-1,4-benzoxazin-3-one;2,2,2-trifluoroacetic acid
CID 22380580
4-[(3S)-3-fluoropyrrolidin-1-yl]piperidine;2,2,2-trifluoroacetic acid
CID 68601866
piperazine;bis(2,2,2-trifluoroacetic acid)
CID 88726631
piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 68619388
1-pyrrolidin-3-ylazepane-2,7-dione
CID 62329466
1-cyclobutylpiperazine;bis(2,2,2-trifluoroacetic acid)
CID 87187795
pyrrolidine;2,2,2-trifluoroacetic acid
CID 56840277
3-fluoropyrrolidine;2,2,2-trifluoroacetic acid
CID 155896849
1-methyl-3-piperidin-4-ylurea;2,2,2-trifluoroacetic acid
CID 174864512
3-piperidin-4-yl-1,4-dihydropyrido[4,3-d]pyrimidin-2-one;bis(2,2,2-trifluoroacetic acid)
CID 131727241
2-oxo-3-piperidin-4-yl-4,5-dihydro-1H-1,3-benzodiazepine-7-carbonitrile;2,2,2-trifluoroacetic acid
CID 68869601

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-ylpyrrolidine-2,5-dione;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-piperidin-4-ylpyrrolidine-2,5-dione;2,2,2-trifluoroacetic acid (CID 135145004) is 1-piperidin-4-ylpyrrolidine-2,5-dione;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-piperidin-4-ylpyrrolidine-2,5-dione;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-piperidin-4-ylpyrrolidine-2,5-dione;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C1CCC(=O)N1C1CCNCC1.
What is the InChIKey of 1-piperidin-4-ylpyrrolidine-2,5-dione;2,2,2-trifluoroacetic acid?
The InChIKey is YKXPPMSKLPIPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2.C2HF3O2/c12-8-1-2-9(13)11(8)7-3-5-10-6-4-7;3-2(4,5)1(6)7/h7,10H,1-6H2;(H,6,7).
What are the key properties of 1-piperidin-4-ylpyrrolidine-2,5-dione;2,2,2-trifluoroacetic acid?
1-piperidin-4-ylpyrrolidine-2,5-dione;2,2,2-trifluoroacetic acid has a molecular weight of 296.25 g/mol, XLogP of 0.52, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-ylpyrrolidine-2,5-dione;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 135145004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).