3-(3-methylphenyl)-4-pentan-3-ylpiperidine-2,6-dione

C17H23NO2 — CID 79436130

IUPAC3-(3-methylphenyl)-4-pentan-3-ylpiperidine-2,6-dione
SMILESCCC(CC)C1CC(=O)NC(=O)C1c1cccc(C)c1
InChIInChI=1S/C17H23NO2/c1-4-12(5-2)14-10-15(19)18-17(20)16(14)13-8-6-7-11(3)9-13/h6-9,12,14,16H,4-5,10H2,1-3H3,(H,18,19,20)
InChIKeyGFVLAWQSEXWOEL-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.18
Rot. Bonds4

About 3-(3-methylphenyl)-4-pentan-3-ylpiperidine-2,6-dione

3-(3-methylphenyl)-4-pentan-3-ylpiperidine-2,6-dione (PubChem CID 79436130) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-(3-methylphenyl)-4-pentan-3-ylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-(3-methylphenyl)-4-pentan-3-ylpiperidine-2,6-dione
PubChem CID79436130
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name3-(3-methylphenyl)-4-pentan-3-ylpiperidine-2,6-dione
SMILESCCC(CC)C1CC(=O)NC(=O)C1c1cccc(C)c1
InChIInChI=1S/C17H23NO2/c1-4-12(5-2)14-10-15(19)18-17(20)16(14)13-8-6-7-11(3)9-13/h6-9,12,14,16H,4-5,10H2,1-3H3,(H,18,19,20)
InChIKeyGFVLAWQSEXWOEL-UHFFFAOYSA-N
XLogP3.18
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.18
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 3-(3-methylphenyl)-4-pentan-3-ylpiperidine-2,6-dione?
The IUPAC name of 3-(3-methylphenyl)-4-pentan-3-ylpiperidine-2,6-dione (CID 79436130) is 3-(3-methylphenyl)-4-pentan-3-ylpiperidine-2,6-dione.
What is the SMILES notation for 3-(3-methylphenyl)-4-pentan-3-ylpiperidine-2,6-dione?
The canonical SMILES for 3-(3-methylphenyl)-4-pentan-3-ylpiperidine-2,6-dione is CCC(CC)C1CC(=O)NC(=O)C1c1cccc(C)c1.
What is the InChIKey of 3-(3-methylphenyl)-4-pentan-3-ylpiperidine-2,6-dione?
The InChIKey is GFVLAWQSEXWOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-4-12(5-2)14-10-15(19)18-17(20)16(14)13-8-6-7-11(3)9-13/h6-9,12,14,16H,4-5,10H2,1-3H3,(H,18,19,20).
What are the key properties of 3-(3-methylphenyl)-4-pentan-3-ylpiperidine-2,6-dione?
3-(3-methylphenyl)-4-pentan-3-ylpiperidine-2,6-dione has a molecular weight of 273.38 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-4-pentan-3-ylpiperidine-2,6-dione is sourced from PubChem (CID 79436130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).