3-(3-chlorophenyl)-4,4-dimethylpiperidine-2,6-dione

C13H14ClNO2 — CID 79429755

IUPAC3-(3-chlorophenyl)-4,4-dimethylpiperidine-2,6-dione
SMILESCC1(C)CC(=O)NC(=O)C1c1cccc(Cl)c1
InChIInChI=1S/C13H14ClNO2/c1-13(2)7-10(16)15-12(17)11(13)8-4-3-5-9(14)6-8/h3-6,11H,7H2,1-2H3,(H,15,16,17)
InChIKeyQBHWZZNNMAXXQT-UHFFFAOYSA-N
MW251.71 g/mol
LogP2.50
Rot. Bonds1

About 3-(3-chlorophenyl)-4,4-dimethylpiperidine-2,6-dione

3-(3-chlorophenyl)-4,4-dimethylpiperidine-2,6-dione (PubChem CID 79429755) has the molecular formula C13H14ClNO2 and a molecular weight of 251.71 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-4,4-dimethylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-(3-chlorophenyl)-4,4-dimethylpiperidine-2,6-dione
PubChem CID79429755
Molecular FormulaC13H14ClNO2
Molecular Weight251.71 g/mol
Exact Mass251.07
IUPAC Name3-(3-chlorophenyl)-4,4-dimethylpiperidine-2,6-dione
SMILESCC1(C)CC(=O)NC(=O)C1c1cccc(Cl)c1
InChIInChI=1S/C13H14ClNO2/c1-13(2)7-10(16)15-12(17)11(13)8-4-3-5-9(14)6-8/h3-6,11H,7H2,1-2H3,(H,15,16,17)
InChIKeyQBHWZZNNMAXXQT-UHFFFAOYSA-N
XLogP2.50
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.71
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Glutethimide
CID 3487
4-(4-Chlorophenyl)piperidine-2,6-dione
CID 2727728
Glutarimide, 2-(p-chlorobenzyl)-
CID 212772
3-Phenyl-2,6-piperidinedione
CID 85686
Glutarimide, 2-methyl-2-phenyl-
CID 203309
3-[1-[(3-Chlorophenyl)methyl]piperidin-4-yl]-3-phenylpiperidine-2,6-dione
CID 14479859
8-Chloro-10b-methyl-1,4,6,10b-tetrahydro-2H-benzo[f]quinolin-3-one
CID 10467173
Cyproximide
CID 12719804
4-Methyl-4-phenylpiperidine-2,6-dione
CID 95854
Glutarimide, 3-ethyl-3-phenyl-
CID 99647
3-[(2,4-Dichlorophenyl)methyl]piperidine-2,6-dione
CID 356409
(-)-Glutethimide
CID 10176773

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-4,4-dimethylpiperidine-2,6-dione?
The IUPAC name of 3-(3-chlorophenyl)-4,4-dimethylpiperidine-2,6-dione (CID 79429755) is 3-(3-chlorophenyl)-4,4-dimethylpiperidine-2,6-dione.
What is the SMILES notation for 3-(3-chlorophenyl)-4,4-dimethylpiperidine-2,6-dione?
The canonical SMILES for 3-(3-chlorophenyl)-4,4-dimethylpiperidine-2,6-dione is CC1(C)CC(=O)NC(=O)C1c1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-4,4-dimethylpiperidine-2,6-dione?
The InChIKey is QBHWZZNNMAXXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO2/c1-13(2)7-10(16)15-12(17)11(13)8-4-3-5-9(14)6-8/h3-6,11H,7H2,1-2H3,(H,15,16,17).
What are the key properties of 3-(3-chlorophenyl)-4,4-dimethylpiperidine-2,6-dione?
3-(3-chlorophenyl)-4,4-dimethylpiperidine-2,6-dione has a molecular weight of 251.71 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-4,4-dimethylpiperidine-2,6-dione is sourced from PubChem (CID 79429755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).