4,4-diethyl-3-(3-methylphenyl)piperidine-2,6-dione

C16H21NO2 — CID 79437017

IUPAC4,4-diethyl-3-(3-methylphenyl)piperidine-2,6-dione
SMILESCCC1(CC)CC(=O)NC(=O)C1c1cccc(C)c1
InChIInChI=1S/C16H21NO2/c1-4-16(5-2)10-13(18)17-15(19)14(16)12-8-6-7-11(3)9-12/h6-9,14H,4-5,10H2,1-3H3,(H,17,18,19)
InChIKeyVZQWTYIXGJCNLE-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.93
Rot. Bonds3

About 4,4-diethyl-3-(3-methylphenyl)piperidine-2,6-dione

4,4-diethyl-3-(3-methylphenyl)piperidine-2,6-dione (PubChem CID 79437017) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 4,4-diethyl-3-(3-methylphenyl)piperidine-2,6-dione.

Molecular Properties

Compound Name4,4-diethyl-3-(3-methylphenyl)piperidine-2,6-dione
PubChem CID79437017
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name4,4-diethyl-3-(3-methylphenyl)piperidine-2,6-dione
SMILESCCC1(CC)CC(=O)NC(=O)C1c1cccc(C)c1
InChIInChI=1S/C16H21NO2/c1-4-16(5-2)10-13(18)17-15(19)14(16)12-8-6-7-11(3)9-12/h6-9,14H,4-5,10H2,1-3H3,(H,17,18,19)
InChIKeyVZQWTYIXGJCNLE-UHFFFAOYSA-N
XLogP2.93
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
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 4,4-diethyl-3-(3-methylphenyl)piperidine-2,6-dione?
The IUPAC name of 4,4-diethyl-3-(3-methylphenyl)piperidine-2,6-dione (CID 79437017) is 4,4-diethyl-3-(3-methylphenyl)piperidine-2,6-dione.
What is the SMILES notation for 4,4-diethyl-3-(3-methylphenyl)piperidine-2,6-dione?
The canonical SMILES for 4,4-diethyl-3-(3-methylphenyl)piperidine-2,6-dione is CCC1(CC)CC(=O)NC(=O)C1c1cccc(C)c1.
What is the InChIKey of 4,4-diethyl-3-(3-methylphenyl)piperidine-2,6-dione?
The InChIKey is VZQWTYIXGJCNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-4-16(5-2)10-13(18)17-15(19)14(16)12-8-6-7-11(3)9-12/h6-9,14H,4-5,10H2,1-3H3,(H,17,18,19).
What are the key properties of 4,4-diethyl-3-(3-methylphenyl)piperidine-2,6-dione?
4,4-diethyl-3-(3-methylphenyl)piperidine-2,6-dione has a molecular weight of 259.35 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diethyl-3-(3-methylphenyl)piperidine-2,6-dione is sourced from PubChem (CID 79437017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).