(3Z)-1-(2-chlorophenyl)-3-(dimethylaminomethylidene)piperidine-2,4-dione

C₁₄H₁₅ClN₂O₂ — CID 118143425

About (3Z)-1-(2-chlorophenyl)-3-(dimethylaminomethylidene)piperidine-2,4-dione

(3Z)-1-(2-chlorophenyl)-3-(dimethylaminomethylidene)piperidine-2,4-dione (PubChem CID 118143425) has the molecular formula C₁₄H₁₅ClN₂O₂ and a molecular weight of 278.74 g/mol. Its IUPAC name is (3Z)-1-(2-chlorophenyl)-3-(dimethylaminomethylidene)piperidine-2,4-dione.

Molecular Properties

• Compound Name: (3Z)-1-(2-chlorophenyl)-3-(dimethylaminomethylidene)piperidine-2,4-dione
• PubChem CID: 118143425
• Molecular Formula: C₁₄H₁₅ClN₂O₂
• Molecular Weight: 278.74 g/mol
• Exact Mass: 278.08
• IUPAC Name: (3Z)-1-(2-chlorophenyl)-3-(dimethylaminomethylidene)piperidine-2,4-dione
• SMILES: CN(C)/C=C1/C(=O)CCN(c2ccccc2Cl)C1=O
• InChI: InChI=1S/C14H15ClN2O2/c1-16(2)9-10-13(18)7-8-17(14(10)19)12-6-4-3-5-11(12)15/h3-6,9H,7-8H2,1-2H3/b10-9-
• InChIKey: MEMSBAWGDJXDQS-KTKRTIGZSA-N
• XLogP: 2.09
• TPSA: 40.62 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	278.74
LogP ≤ 5	2.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3Z)-1-(2-chlorophenyl)-3-(dimethylaminomethylidene)piperidine-2,4-dione?

The IUPAC name of (3Z)-1-(2-chlorophenyl)-3-(dimethylaminomethylidene)piperidine-2,4-dione (CID 118143425) is (3Z)-1-(2-chlorophenyl)-3-(dimethylaminomethylidene)piperidine-2,4-dione.

What is the SMILES notation for (3Z)-1-(2-chlorophenyl)-3-(dimethylaminomethylidene)piperidine-2,4-dione?

The canonical SMILES for (3Z)-1-(2-chlorophenyl)-3-(dimethylaminomethylidene)piperidine-2,4-dione is CN(C)/C=C1/C(=O)CCN(c2ccccc2Cl)C1=O.

What is the InChIKey of (3Z)-1-(2-chlorophenyl)-3-(dimethylaminomethylidene)piperidine-2,4-dione?

The InChIKey is MEMSBAWGDJXDQS-KTKRTIGZSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-16(2)9-10-13(18)7-8-17(14(10)19)12-6-4-3-5-11(12)15/h3-6,9H,7-8H2,1-2H3/b10-9-.

What are the key properties of (3Z)-1-(2-chlorophenyl)-3-(dimethylaminomethylidene)piperidine-2,4-dione?

(3Z)-1-(2-chlorophenyl)-3-(dimethylaminomethylidene)piperidine-2,4-dione has a molecular weight of 278.74 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (3Z)-1-(2-chlorophenyl)-3-(dimethylaminomethylidene)piperidine-2,4-dione is sourced from PubChem (CID 118143425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 118143425 — identifiers, structure, computed properties (public domain)

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