4-(3-chloro-4-methoxyphenyl)-3-(2-methylpropyl)piperidine-2,6-dione

C16H20ClNO3 — CID 79309843

IUPAC4-(3-chloro-4-methoxyphenyl)-3-(2-methylpropyl)piperidine-2,6-dione
SMILESCOc1ccc(C2CC(=O)NC(=O)C2CC(C)C)cc1Cl
InChIInChI=1S/C16H20ClNO3/c1-9(2)6-12-11(8-15(19)18-16(12)20)10-4-5-14(21-3)13(17)7-10/h4-5,7,9,11-12H,6,8H2,1-3H3,(H,18,19,20)
InChIKeyZQWGBWMLBQJNDF-UHFFFAOYSA-N
MW309.79 g/mol
LogP3.14
Rot. Bonds4

About 4-(3-chloro-4-methoxyphenyl)-3-(2-methylpropyl)piperidine-2,6-dione

4-(3-chloro-4-methoxyphenyl)-3-(2-methylpropyl)piperidine-2,6-dione (PubChem CID 79309843) has the molecular formula C16H20ClNO3 and a molecular weight of 309.79 g/mol. Its IUPAC name is 4-(3-chloro-4-methoxyphenyl)-3-(2-methylpropyl)piperidine-2,6-dione.

Molecular Properties

Compound Name4-(3-chloro-4-methoxyphenyl)-3-(2-methylpropyl)piperidine-2,6-dione
PubChem CID79309843
Molecular FormulaC16H20ClNO3
Molecular Weight309.79 g/mol
Exact Mass309.11
IUPAC Name4-(3-chloro-4-methoxyphenyl)-3-(2-methylpropyl)piperidine-2,6-dione
SMILESCOc1ccc(C2CC(=O)NC(=O)C2CC(C)C)cc1Cl
InChIInChI=1S/C16H20ClNO3/c1-9(2)6-12-11(8-15(19)18-16(12)20)10-4-5-14(21-3)13(17)7-10/h4-5,7,9,11-12H,6,8H2,1-3H3,(H,18,19,20)
InChIKeyZQWGBWMLBQJNDF-UHFFFAOYSA-N
XLogP3.14
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.79
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(3-chloro-4-methoxyphenyl)-3-(2-methylpropyl)piperidine-2,6-dione?
The IUPAC name of 4-(3-chloro-4-methoxyphenyl)-3-(2-methylpropyl)piperidine-2,6-dione (CID 79309843) is 4-(3-chloro-4-methoxyphenyl)-3-(2-methylpropyl)piperidine-2,6-dione.
What is the SMILES notation for 4-(3-chloro-4-methoxyphenyl)-3-(2-methylpropyl)piperidine-2,6-dione?
The canonical SMILES for 4-(3-chloro-4-methoxyphenyl)-3-(2-methylpropyl)piperidine-2,6-dione is COc1ccc(C2CC(=O)NC(=O)C2CC(C)C)cc1Cl.
What is the InChIKey of 4-(3-chloro-4-methoxyphenyl)-3-(2-methylpropyl)piperidine-2,6-dione?
The InChIKey is ZQWGBWMLBQJNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO3/c1-9(2)6-12-11(8-15(19)18-16(12)20)10-4-5-14(21-3)13(17)7-10/h4-5,7,9,11-12H,6,8H2,1-3H3,(H,18,19,20).
What are the key properties of 4-(3-chloro-4-methoxyphenyl)-3-(2-methylpropyl)piperidine-2,6-dione?
4-(3-chloro-4-methoxyphenyl)-3-(2-methylpropyl)piperidine-2,6-dione has a molecular weight of 309.79 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-methoxyphenyl)-3-(2-methylpropyl)piperidine-2,6-dione is sourced from PubChem (CID 79309843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).