3-(3-chlorophenyl)-4-ethyl-4-(methoxymethyl)piperidine-2,6-dione

C15H18ClNO3 — CID 79432286

IUPAC3-(3-chlorophenyl)-4-ethyl-4-(methoxymethyl)piperidine-2,6-dione
SMILESCCC1(COC)CC(=O)NC(=O)C1c1cccc(Cl)c1
InChIInChI=1S/C15H18ClNO3/c1-3-15(9-20-2)8-12(18)17-14(19)13(15)10-5-4-6-11(16)7-10/h4-7,13H,3,8-9H2,1-2H3,(H,17,18,19)
InChIKeyCPQWTLNQRVFYIV-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.51
Rot. Bonds4

About 3-(3-chlorophenyl)-4-ethyl-4-(methoxymethyl)piperidine-2,6-dione

3-(3-chlorophenyl)-4-ethyl-4-(methoxymethyl)piperidine-2,6-dione (PubChem CID 79432286) has the molecular formula C15H18ClNO3 and a molecular weight of 295.77 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-4-ethyl-4-(methoxymethyl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(3-chlorophenyl)-4-ethyl-4-(methoxymethyl)piperidine-2,6-dione
PubChem CID79432286
Molecular FormulaC15H18ClNO3
Molecular Weight295.77 g/mol
Exact Mass295.10
IUPAC Name3-(3-chlorophenyl)-4-ethyl-4-(methoxymethyl)piperidine-2,6-dione
SMILESCCC1(COC)CC(=O)NC(=O)C1c1cccc(Cl)c1
InChIInChI=1S/C15H18ClNO3/c1-3-15(9-20-2)8-12(18)17-14(19)13(15)10-5-4-6-11(16)7-10/h4-7,13H,3,8-9H2,1-2H3,(H,17,18,19)
InChIKeyCPQWTLNQRVFYIV-UHFFFAOYSA-N
XLogP2.51
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(3-chlorophenyl)-4-ethyl-4-(methoxymethyl)piperidine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-4-ethyl-4-(methoxymethyl)piperidine-2,6-dione?
The IUPAC name of 3-(3-chlorophenyl)-4-ethyl-4-(methoxymethyl)piperidine-2,6-dione (CID 79432286) is 3-(3-chlorophenyl)-4-ethyl-4-(methoxymethyl)piperidine-2,6-dione.
What is the SMILES notation for 3-(3-chlorophenyl)-4-ethyl-4-(methoxymethyl)piperidine-2,6-dione?
The canonical SMILES for 3-(3-chlorophenyl)-4-ethyl-4-(methoxymethyl)piperidine-2,6-dione is CCC1(COC)CC(=O)NC(=O)C1c1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-4-ethyl-4-(methoxymethyl)piperidine-2,6-dione?
The InChIKey is CPQWTLNQRVFYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO3/c1-3-15(9-20-2)8-12(18)17-14(19)13(15)10-5-4-6-11(16)7-10/h4-7,13H,3,8-9H2,1-2H3,(H,17,18,19).
What are the key properties of 3-(3-chlorophenyl)-4-ethyl-4-(methoxymethyl)piperidine-2,6-dione?
3-(3-chlorophenyl)-4-ethyl-4-(methoxymethyl)piperidine-2,6-dione has a molecular weight of 295.77 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-4-ethyl-4-(methoxymethyl)piperidine-2,6-dione is sourced from PubChem (CID 79432286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).