3-(1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)piperidine-2,6-dione

C13H20N2O2 — CID 166112677

IUPAC3-(1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)piperidine-2,6-dione
SMILESCC(C)N1CCC=C(C2CCC(=O)NC2=O)C1
InChIInChI=1S/C13H20N2O2/c1-9(2)15-7-3-4-10(8-15)11-5-6-12(16)14-13(11)17/h4,9,11H,3,5-8H2,1-2H3,(H,14,16,17)
InChIKeyXDEQVQNOGFFFTA-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.08
Rot. Bonds2

About 3-(1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)piperidine-2,6-dione

3-(1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)piperidine-2,6-dione (PubChem CID 166112677) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-(1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)piperidine-2,6-dione
PubChem CID166112677
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3-(1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)piperidine-2,6-dione
SMILESCC(C)N1CCC=C(C2CCC(=O)NC2=O)C1
InChIInChI=1S/C13H20N2O2/c1-9(2)15-7-3-4-10(8-15)11-5-6-12(16)14-13(11)17/h4,9,11H,3,5-8H2,1-2H3,(H,14,16,17)
InChIKeyXDEQVQNOGFFFTA-UHFFFAOYSA-N
XLogP1.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)piperidine-2,6-dione?
The IUPAC name of 3-(1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)piperidine-2,6-dione (CID 166112677) is 3-(1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)piperidine-2,6-dione is CC(C)N1CCC=C(C2CCC(=O)NC2=O)C1.
What is the InChIKey of 3-(1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)piperidine-2,6-dione?
The InChIKey is XDEQVQNOGFFFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9(2)15-7-3-4-10(8-15)11-5-6-12(16)14-13(11)17/h4,9,11H,3,5-8H2,1-2H3,(H,14,16,17).
What are the key properties of 3-(1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)piperidine-2,6-dione?
3-(1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)piperidine-2,6-dione has a molecular weight of 236.31 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)piperidine-2,6-dione is sourced from PubChem (CID 166112677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).