3-[(1-propan-2-ylpyrazol-3-yl)amino]piperidine-2,6-dione

C11H16N4O2 — CID 164719881

IUPAC3-[(1-propan-2-ylpyrazol-3-yl)amino]piperidine-2,6-dione
SMILESCC(C)n1ccc(NC2CCC(=O)NC2=O)n1
InChIInChI=1S/C11H16N4O2/c1-7(2)15-6-5-9(14-15)12-8-3-4-10(16)13-11(8)17/h5-8H,3-4H2,1-2H3,(H,12,14)(H,13,16,17)
InChIKeyJJVVIBQKGUGBFQ-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.68
Rot. Bonds3

About 3-[(1-propan-2-ylpyrazol-3-yl)amino]piperidine-2,6-dione

3-[(1-propan-2-ylpyrazol-3-yl)amino]piperidine-2,6-dione (PubChem CID 164719881) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-[(1-propan-2-ylpyrazol-3-yl)amino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[(1-propan-2-ylpyrazol-3-yl)amino]piperidine-2,6-dione
PubChem CID164719881
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name3-[(1-propan-2-ylpyrazol-3-yl)amino]piperidine-2,6-dione
SMILESCC(C)n1ccc(NC2CCC(=O)NC2=O)n1
InChIInChI=1S/C11H16N4O2/c1-7(2)15-6-5-9(14-15)12-8-3-4-10(16)13-11(8)17/h5-8H,3-4H2,1-2H3,(H,12,14)(H,13,16,17)
InChIKeyJJVVIBQKGUGBFQ-UHFFFAOYSA-N
XLogP0.68
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-propan-2-ylpyrazol-3-yl)amino]piperidine-2,6-dione?
The IUPAC name of 3-[(1-propan-2-ylpyrazol-3-yl)amino]piperidine-2,6-dione (CID 164719881) is 3-[(1-propan-2-ylpyrazol-3-yl)amino]piperidine-2,6-dione.
What is the SMILES notation for 3-[(1-propan-2-ylpyrazol-3-yl)amino]piperidine-2,6-dione?
The canonical SMILES for 3-[(1-propan-2-ylpyrazol-3-yl)amino]piperidine-2,6-dione is CC(C)n1ccc(NC2CCC(=O)NC2=O)n1.
What is the InChIKey of 3-[(1-propan-2-ylpyrazol-3-yl)amino]piperidine-2,6-dione?
The InChIKey is JJVVIBQKGUGBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-7(2)15-6-5-9(14-15)12-8-3-4-10(16)13-11(8)17/h5-8H,3-4H2,1-2H3,(H,12,14)(H,13,16,17).
What are the key properties of 3-[(1-propan-2-ylpyrazol-3-yl)amino]piperidine-2,6-dione?
3-[(1-propan-2-ylpyrazol-3-yl)amino]piperidine-2,6-dione has a molecular weight of 236.27 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-propan-2-ylpyrazol-3-yl)amino]piperidine-2,6-dione is sourced from PubChem (CID 164719881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).