1-(3-chloro-4-methylphenyl)-4-(3,4-dimethoxyphenyl)piperidine-2,6-dione

C20H20ClNO4 — CID 50774121

IUPAC1-(3-chloro-4-methylphenyl)-4-(3,4-dimethoxyphenyl)piperidine-2,6-dione
SMILESCOc1ccc(C2CC(=O)N(c3ccc(C)c(Cl)c3)C(=O)C2)cc1OC
InChIInChI=1S/C20H20ClNO4/c1-12-4-6-15(11-16(12)21)22-19(23)9-14(10-20(22)24)13-5-7-17(25-2)18(8-13)26-3/h4-8,11,14H,9-10H2,1-3H3
InChIKeyKERCWLMROCRWAC-UHFFFAOYSA-N
MW373.84 g/mol
LogP4.10
Rot. Bonds4

About 1-(3-chloro-4-methylphenyl)-4-(3,4-dimethoxyphenyl)piperidine-2,6-dione

1-(3-chloro-4-methylphenyl)-4-(3,4-dimethoxyphenyl)piperidine-2,6-dione (PubChem CID 50774121) has the molecular formula C20H20ClNO4 and a molecular weight of 373.84 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-4-(3,4-dimethoxyphenyl)piperidine-2,6-dione.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-4-(3,4-dimethoxyphenyl)piperidine-2,6-dione
PubChem CID50774121
Molecular FormulaC20H20ClNO4
Molecular Weight373.84 g/mol
Exact Mass373.11
IUPAC Name1-(3-chloro-4-methylphenyl)-4-(3,4-dimethoxyphenyl)piperidine-2,6-dione
SMILESCOc1ccc(C2CC(=O)N(c3ccc(C)c(Cl)c3)C(=O)C2)cc1OC
InChIInChI=1S/C20H20ClNO4/c1-12-4-6-15(11-16(12)21)22-19(23)9-14(10-20(22)24)13-5-7-17(25-2)18(8-13)26-3/h4-8,11,14H,9-10H2,1-3H3
InChIKeyKERCWLMROCRWAC-UHFFFAOYSA-N
XLogP4.10
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(3-chloro-4-methylphenyl)-4-(3,4-dimethoxyphenyl)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 1-(3-chloro-4-methylphenyl)-4-(3,4-dimethoxyphenyl)piperidine-2,6-dione?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-4-(3,4-dimethoxyphenyl)piperidine-2,6-dione (CID 50774121) is 1-(3-chloro-4-methylphenyl)-4-(3,4-dimethoxyphenyl)piperidine-2,6-dione.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-4-(3,4-dimethoxyphenyl)piperidine-2,6-dione?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-4-(3,4-dimethoxyphenyl)piperidine-2,6-dione is COc1ccc(C2CC(=O)N(c3ccc(C)c(Cl)c3)C(=O)C2)cc1OC.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-4-(3,4-dimethoxyphenyl)piperidine-2,6-dione?
The InChIKey is KERCWLMROCRWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO4/c1-12-4-6-15(11-16(12)21)22-19(23)9-14(10-20(22)24)13-5-7-17(25-2)18(8-13)26-3/h4-8,11,14H,9-10H2,1-3H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)-4-(3,4-dimethoxyphenyl)piperidine-2,6-dione?
1-(3-chloro-4-methylphenyl)-4-(3,4-dimethoxyphenyl)piperidine-2,6-dione has a molecular weight of 373.84 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-4-(3,4-dimethoxyphenyl)piperidine-2,6-dione is sourced from PubChem (CID 50774121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).