4-(4-tert-butylphenyl)-3-methylpiperidine-2,6-dione

C16H21NO2 — CID 79318100

IUPAC4-(4-tert-butylphenyl)-3-methylpiperidine-2,6-dione
SMILESCC1C(=O)NC(=O)CC1c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H21NO2/c1-10-13(9-14(18)17-15(10)19)11-5-7-12(8-6-11)16(2,3)4/h5-8,10,13H,9H2,1-4H3,(H,17,18,19)
InChIKeyQWUPABAWZZULGY-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.75
Rot. Bonds1

About 4-(4-tert-butylphenyl)-3-methylpiperidine-2,6-dione

4-(4-tert-butylphenyl)-3-methylpiperidine-2,6-dione (PubChem CID 79318100) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)-3-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)-3-methylpiperidine-2,6-dione
PubChem CID79318100
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name4-(4-tert-butylphenyl)-3-methylpiperidine-2,6-dione
SMILESCC1C(=O)NC(=O)CC1c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H21NO2/c1-10-13(9-14(18)17-15(10)19)11-5-7-12(8-6-11)16(2,3)4/h5-8,10,13H,9H2,1-4H3,(H,17,18,19)
InChIKeyQWUPABAWZZULGY-UHFFFAOYSA-N
XLogP2.75
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.75
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-tert-butylphenyl)-3-methylpiperidine-2,6-dione?
The IUPAC name of 4-(4-tert-butylphenyl)-3-methylpiperidine-2,6-dione (CID 79318100) is 4-(4-tert-butylphenyl)-3-methylpiperidine-2,6-dione.
What is the SMILES notation for 4-(4-tert-butylphenyl)-3-methylpiperidine-2,6-dione?
The canonical SMILES for 4-(4-tert-butylphenyl)-3-methylpiperidine-2,6-dione is CC1C(=O)NC(=O)CC1c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-(4-tert-butylphenyl)-3-methylpiperidine-2,6-dione?
The InChIKey is QWUPABAWZZULGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-10-13(9-14(18)17-15(10)19)11-5-7-12(8-6-11)16(2,3)4/h5-8,10,13H,9H2,1-4H3,(H,17,18,19).
What are the key properties of 4-(4-tert-butylphenyl)-3-methylpiperidine-2,6-dione?
4-(4-tert-butylphenyl)-3-methylpiperidine-2,6-dione has a molecular weight of 259.35 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)-3-methylpiperidine-2,6-dione is sourced from PubChem (CID 79318100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).