3,3-diethyl-1-phenylpiperidine-2,6-dione

C15H19NO2 — CID 3028428

IUPAC3,3-diethyl-1-phenylpiperidine-2,6-dione
SMILESCCC1(CC)CCC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C15H19NO2/c1-3-15(4-2)11-10-13(17)16(14(15)18)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3
InChIKeyLMNNGCNZFGDJBD-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.15
Rot. Bonds3

About 3,3-diethyl-1-phenylpiperidine-2,6-dione

3,3-diethyl-1-phenylpiperidine-2,6-dione (PubChem CID 3028428) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 3,3-diethyl-1-phenylpiperidine-2,6-dione.

Molecular Properties

Compound Name3,3-diethyl-1-phenylpiperidine-2,6-dione
PubChem CID3028428
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name3,3-diethyl-1-phenylpiperidine-2,6-dione
SMILESCCC1(CC)CCC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C15H19NO2/c1-3-15(4-2)11-10-13(17)16(14(15)18)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3
InChIKeyLMNNGCNZFGDJBD-UHFFFAOYSA-N
XLogP3.15
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-1-phenylpiperidine-2,6-dione?
The IUPAC name of 3,3-diethyl-1-phenylpiperidine-2,6-dione (CID 3028428) is 3,3-diethyl-1-phenylpiperidine-2,6-dione.
What is the SMILES notation for 3,3-diethyl-1-phenylpiperidine-2,6-dione?
The canonical SMILES for 3,3-diethyl-1-phenylpiperidine-2,6-dione is CCC1(CC)CCC(=O)N(c2ccccc2)C1=O.
What is the InChIKey of 3,3-diethyl-1-phenylpiperidine-2,6-dione?
The InChIKey is LMNNGCNZFGDJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-3-15(4-2)11-10-13(17)16(14(15)18)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3.
What are the key properties of 3,3-diethyl-1-phenylpiperidine-2,6-dione?
3,3-diethyl-1-phenylpiperidine-2,6-dione has a molecular weight of 245.32 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-1-phenylpiperidine-2,6-dione is sourced from PubChem (CID 3028428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).