4-(4-ethylphenyl)-3-propan-2-ylpiperidine-2,6-dione

C16H21NO2 — CID 79320168

IUPAC4-(4-ethylphenyl)-3-propan-2-ylpiperidine-2,6-dione
SMILESCCc1ccc(C2CC(=O)NC(=O)C2C(C)C)cc1
InChIInChI=1S/C16H21NO2/c1-4-11-5-7-12(8-6-11)13-9-14(18)17-16(19)15(13)10(2)3/h5-8,10,13,15H,4,9H2,1-3H3,(H,17,18,19)
InChIKeyAGCNSOSENAMMGL-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.65
Rot. Bonds3

About 4-(4-ethylphenyl)-3-propan-2-ylpiperidine-2,6-dione

4-(4-ethylphenyl)-3-propan-2-ylpiperidine-2,6-dione (PubChem CID 79320168) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-(4-ethylphenyl)-3-propan-2-ylpiperidine-2,6-dione.

Molecular Properties

Compound Name4-(4-ethylphenyl)-3-propan-2-ylpiperidine-2,6-dione
PubChem CID79320168
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name4-(4-ethylphenyl)-3-propan-2-ylpiperidine-2,6-dione
SMILESCCc1ccc(C2CC(=O)NC(=O)C2C(C)C)cc1
InChIInChI=1S/C16H21NO2/c1-4-11-5-7-12(8-6-11)13-9-14(18)17-16(19)15(13)10(2)3/h5-8,10,13,15H,4,9H2,1-3H3,(H,17,18,19)
InChIKeyAGCNSOSENAMMGL-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-phenyl-3-propan-2-ylpiperidine-2,6-dione
CID 79321338
4-(4-tert-butylphenyl)-3-propan-2-ylpiperidine-2,6-dione
CID 79310088
3-propan-2-yl-4-(4-propan-2-yloxyphenyl)piperidine-2,6-dione
CID 79310291
4-(3,4-dichlorophenyl)-3-propan-2-ylpiperidine-2,6-dione
CID 79320854
3-propan-2-yl-4-thiophen-3-ylpiperidine-2,6-dione
CID 79321429
4-(3,5-difluorophenyl)-3-propan-2-ylpiperidine-2,6-dione
CID 106534521
4-(3-chlorophenyl)-3-propan-2-ylpiperidine-2,6-dione
CID 79320660
4-(4-methoxy-3-methylphenyl)-3-propan-2-ylpiperidine-2,6-dione
CID 79320166
4-(3,5-dimethoxyphenyl)-3-propan-2-ylpiperidine-2,6-dione
CID 79310299
4-(2,6-difluorophenyl)-3-propan-2-ylpiperidine-2,6-dione
CID 79320367
4-(3-ethyl-1-methylpyrazol-4-yl)-3-propan-2-ylpiperidine-2,6-dione
CID 112671523
4-(2,4-difluorophenyl)-3-propan-2-ylpiperidine-2,6-dione
CID 79321149

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenyl)-3-propan-2-ylpiperidine-2,6-dione?
The IUPAC name of 4-(4-ethylphenyl)-3-propan-2-ylpiperidine-2,6-dione (CID 79320168) is 4-(4-ethylphenyl)-3-propan-2-ylpiperidine-2,6-dione.
What is the SMILES notation for 4-(4-ethylphenyl)-3-propan-2-ylpiperidine-2,6-dione?
The canonical SMILES for 4-(4-ethylphenyl)-3-propan-2-ylpiperidine-2,6-dione is CCc1ccc(C2CC(=O)NC(=O)C2C(C)C)cc1.
What is the InChIKey of 4-(4-ethylphenyl)-3-propan-2-ylpiperidine-2,6-dione?
The InChIKey is AGCNSOSENAMMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-4-11-5-7-12(8-6-11)13-9-14(18)17-16(19)15(13)10(2)3/h5-8,10,13,15H,4,9H2,1-3H3,(H,17,18,19).
What are the key properties of 4-(4-ethylphenyl)-3-propan-2-ylpiperidine-2,6-dione?
4-(4-ethylphenyl)-3-propan-2-ylpiperidine-2,6-dione has a molecular weight of 259.35 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenyl)-3-propan-2-ylpiperidine-2,6-dione is sourced from PubChem (CID 79320168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).