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

C16H20ClNO2 — CID 79434036

IUPAC3-(4-chlorophenyl)-4-pentan-3-ylpiperidine-2,6-dione
SMILESCCC(CC)C1CC(=O)NC(=O)C1c1ccc(Cl)cc1
InChIInChI=1S/C16H20ClNO2/c1-3-10(4-2)13-9-14(19)18-16(20)15(13)11-5-7-12(17)8-6-11/h5-8,10,13,15H,3-4,9H2,1-2H3,(H,18,19,20)
InChIKeyVFOKZKWDLRDAAA-UHFFFAOYSA-N
MW293.79 g/mol
LogP3.52
Rot. Bonds4

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

3-(4-chlorophenyl)-4-pentan-3-ylpiperidine-2,6-dione (PubChem CID 79434036) has the molecular formula C16H20ClNO2 and a molecular weight of 293.79 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-pentan-3-ylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-pentan-3-ylpiperidine-2,6-dione
PubChem CID79434036
Molecular FormulaC16H20ClNO2
Molecular Weight293.79 g/mol
Exact Mass293.12
IUPAC Name3-(4-chlorophenyl)-4-pentan-3-ylpiperidine-2,6-dione
SMILESCCC(CC)C1CC(=O)NC(=O)C1c1ccc(Cl)cc1
InChIInChI=1S/C16H20ClNO2/c1-3-10(4-2)13-9-14(19)18-16(20)15(13)11-5-7-12(17)8-6-11/h5-8,10,13,15H,3-4,9H2,1-2H3,(H,18,19,20)
InChIKeyVFOKZKWDLRDAAA-UHFFFAOYSA-N
XLogP3.52
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.79
LogP ≤ 53.52
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-(4-chlorophenyl)-4-pentan-3-ylpiperidine-2,6-dione?
The IUPAC name of 3-(4-chlorophenyl)-4-pentan-3-ylpiperidine-2,6-dione (CID 79434036) is 3-(4-chlorophenyl)-4-pentan-3-ylpiperidine-2,6-dione.
What is the SMILES notation for 3-(4-chlorophenyl)-4-pentan-3-ylpiperidine-2,6-dione?
The canonical SMILES for 3-(4-chlorophenyl)-4-pentan-3-ylpiperidine-2,6-dione is CCC(CC)C1CC(=O)NC(=O)C1c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-4-pentan-3-ylpiperidine-2,6-dione?
The InChIKey is VFOKZKWDLRDAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO2/c1-3-10(4-2)13-9-14(19)18-16(20)15(13)11-5-7-12(17)8-6-11/h5-8,10,13,15H,3-4,9H2,1-2H3,(H,18,19,20).
What are the key properties of 3-(4-chlorophenyl)-4-pentan-3-ylpiperidine-2,6-dione?
3-(4-chlorophenyl)-4-pentan-3-ylpiperidine-2,6-dione has a molecular weight of 293.79 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-pentan-3-ylpiperidine-2,6-dione is sourced from PubChem (CID 79434036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).