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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Related Compounds

1-(3-chlorophenyl)-3-methylpyrrolidine-2,5-dione
CID 71519662
(3S)-3-(3-chloroanilino)-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 8933099
1,4-diphenylpiperidine-2,6-dione
CID 2812798
(2S,6S,7R)-4-(3-chlorophenyl)-7-(4-methylphenyl)-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione
CID 6578519
3-[4-(4-methylphenyl)-2,5-dioxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzoic acid
CID 23773142
1-(3-chlorophenyl)-3-[4-[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 3091910
4-(3-chlorophenyl)-1-(3-methylphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 5294682
1-methyl-4-(4-methylphenyl)pyrrolidin-2-one
CID 71364641
(3R,3aS,6aS)-5-(3-chlorophenyl)-3-(4-methylphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 6587836
(3aS,6aS)-5-(3-chlorophenyl)-3-(4-methylphenyl)-3a,6a-dihydropyrrolo[3,4-d]triazole-4,6-dione
CID 98185764
(3aR,6aS)-5-(3-chlorophenyl)-3-(4-methylphenyl)-3a,6a-dihydropyrrolo[3,4-d]triazole-4,6-dione
CID 98185763
2-(3-chlorophenyl)-1-(4-methylphenyl)-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one
CID 3784133

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).