1-(3-chlorophenyl)-3,5-diphenylpiperidine-2,6-dione

C23H18ClNO2 — CID 57390515

IUPAC1-(3-chlorophenyl)-3,5-diphenylpiperidine-2,6-dione
SMILESO=C1C(c2ccccc2)CC(c2ccccc2)C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C23H18ClNO2/c24-18-12-7-13-19(14-18)25-22(26)20(16-8-3-1-4-9-16)15-21(23(25)27)17-10-5-2-6-11-17/h1-14,20-21H,15H2
InChIKeyHAGQLYIQFZLQOD-UHFFFAOYSA-N
MW375.86 g/mol
LogP5.17
Rot. Bonds3

About 1-(3-chlorophenyl)-3,5-diphenylpiperidine-2,6-dione

1-(3-chlorophenyl)-3,5-diphenylpiperidine-2,6-dione (PubChem CID 57390515) has the molecular formula C23H18ClNO2 and a molecular weight of 375.86 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3,5-diphenylpiperidine-2,6-dione.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3,5-diphenylpiperidine-2,6-dione
PubChem CID57390515
Molecular FormulaC23H18ClNO2
Molecular Weight375.86 g/mol
Exact Mass375.10
IUPAC Name1-(3-chlorophenyl)-3,5-diphenylpiperidine-2,6-dione
SMILESO=C1C(c2ccccc2)CC(c2ccccc2)C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C23H18ClNO2/c24-18-12-7-13-19(14-18)25-22(26)20(16-8-3-1-4-9-16)15-21(23(25)27)17-10-5-2-6-11-17/h1-14,20-21H,15H2
InChIKeyHAGQLYIQFZLQOD-UHFFFAOYSA-N
XLogP5.17
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.86
LogP ≤ 55.17
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)-3,5-diphenylpiperidine-2,6-dione?
The IUPAC name of 1-(3-chlorophenyl)-3,5-diphenylpiperidine-2,6-dione (CID 57390515) is 1-(3-chlorophenyl)-3,5-diphenylpiperidine-2,6-dione.
What is the SMILES notation for 1-(3-chlorophenyl)-3,5-diphenylpiperidine-2,6-dione?
The canonical SMILES for 1-(3-chlorophenyl)-3,5-diphenylpiperidine-2,6-dione is O=C1C(c2ccccc2)CC(c2ccccc2)C(=O)N1c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3,5-diphenylpiperidine-2,6-dione?
The InChIKey is HAGQLYIQFZLQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClNO2/c24-18-12-7-13-19(14-18)25-22(26)20(16-8-3-1-4-9-16)15-21(23(25)27)17-10-5-2-6-11-17/h1-14,20-21H,15H2.
What are the key properties of 1-(3-chlorophenyl)-3,5-diphenylpiperidine-2,6-dione?
1-(3-chlorophenyl)-3,5-diphenylpiperidine-2,6-dione has a molecular weight of 375.86 g/mol, XLogP of 5.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3,5-diphenylpiperidine-2,6-dione is sourced from PubChem (CID 57390515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).