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

C18H16ClNO2 — CID 46298369

IUPAC1-(3-chlorophenyl)-4-(4-methylphenyl)piperidine-2,6-dione
SMILESCc1ccc(C2CC(=O)N(c3cccc(Cl)c3)C(=O)C2)cc1
InChIInChI=1S/C18H16ClNO2/c1-12-5-7-13(8-6-12)14-9-17(21)20(18(22)10-14)16-4-2-3-15(19)11-16/h2-8,11,14H,9-10H2,1H3
InChIKeyJPTOWBJZMKPFIS-UHFFFAOYSA-N
MW313.78 g/mol
LogP4.09
Rot. Bonds2

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

1-(3-chlorophenyl)-4-(4-methylphenyl)piperidine-2,6-dione (PubChem CID 46298369) has the molecular formula C18H16ClNO2 and a molecular weight of 313.78 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-(4-methylphenyl)piperidine-2,6-dione.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-(4-methylphenyl)piperidine-2,6-dione
PubChem CID46298369
Molecular FormulaC18H16ClNO2
Molecular Weight313.78 g/mol
Exact Mass313.09
IUPAC Name1-(3-chlorophenyl)-4-(4-methylphenyl)piperidine-2,6-dione
SMILESCc1ccc(C2CC(=O)N(c3cccc(Cl)c3)C(=O)C2)cc1
InChIInChI=1S/C18H16ClNO2/c1-12-5-7-13(8-6-12)14-9-17(21)20(18(22)10-14)16-4-2-3-15(19)11-16/h2-8,11,14H,9-10H2,1H3
InChIKeyJPTOWBJZMKPFIS-UHFFFAOYSA-N
XLogP4.09
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 54.09
H-Bond Donors ≤ 50
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 1-(3-chlorophenyl)-4-(4-methylphenyl)piperidine-2,6-dione?
The IUPAC name of 1-(3-chlorophenyl)-4-(4-methylphenyl)piperidine-2,6-dione (CID 46298369) is 1-(3-chlorophenyl)-4-(4-methylphenyl)piperidine-2,6-dione.
What is the SMILES notation for 1-(3-chlorophenyl)-4-(4-methylphenyl)piperidine-2,6-dione?
The canonical SMILES for 1-(3-chlorophenyl)-4-(4-methylphenyl)piperidine-2,6-dione is Cc1ccc(C2CC(=O)N(c3cccc(Cl)c3)C(=O)C2)cc1.
What is the InChIKey of 1-(3-chlorophenyl)-4-(4-methylphenyl)piperidine-2,6-dione?
The InChIKey is JPTOWBJZMKPFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO2/c1-12-5-7-13(8-6-12)14-9-17(21)20(18(22)10-14)16-4-2-3-15(19)11-16/h2-8,11,14H,9-10H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-4-(4-methylphenyl)piperidine-2,6-dione?
1-(3-chlorophenyl)-4-(4-methylphenyl)piperidine-2,6-dione has a molecular weight of 313.78 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4-(4-methylphenyl)piperidine-2,6-dione is sourced from PubChem (CID 46298369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).