1,3-dimethyl-3-phenylpiperidine-2,6-dione

C13H15NO2 — CID 13260886

IUPAC1,3-dimethyl-3-phenylpiperidine-2,6-dione
SMILESCN1C(=O)CCC(C)(c2ccccc2)C1=O
InChIInChI=1S/C13H15NO2/c1-13(10-6-4-3-5-7-10)9-8-11(15)14(2)12(13)16/h3-7H,8-9H2,1-2H3
InChIKeyKXPCFAKODGXTIS-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.72
Rot. Bonds1

About 1,3-dimethyl-3-phenylpiperidine-2,6-dione

1,3-dimethyl-3-phenylpiperidine-2,6-dione (PubChem CID 13260886) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 1,3-dimethyl-3-phenylpiperidine-2,6-dione.

Molecular Properties

Compound Name1,3-dimethyl-3-phenylpiperidine-2,6-dione
PubChem CID13260886
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name1,3-dimethyl-3-phenylpiperidine-2,6-dione
SMILESCN1C(=O)CCC(C)(c2ccccc2)C1=O
InChIInChI=1S/C13H15NO2/c1-13(10-6-4-3-5-7-10)9-8-11(15)14(2)12(13)16/h3-7H,8-9H2,1-2H3
InChIKeyKXPCFAKODGXTIS-UHFFFAOYSA-N
XLogP1.72
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.72
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

1,3,3-trimethylpiperidine-2,6-dione
CID 13462179
1H-1,4-benzodiazepine;1,3-dimethyl-3-phenylpyrrolidine-2,5-dione
CID 175327614
5-methyl-1-(2-methylsulfonylethyl)-5-phenylpiperidin-2-one
CID 70756405
3-methyl-1-[3-(methylamino)propyl]-3-phenylpyrrolidine-2,5-dione
CID 61348826
3-methyl-1-(4-methylpiperidin-4-yl)-3-phenylpyrrolidine-2,5-dione
CID 114697465
(3R)-1-benzyl-3-methyl-3-phenylpyrrolidine-2,5-dione
CID 102187715
(2R)-1,2-dimethyl-2-phenylaziridine
CID 102030003
1,3,3-trimethylazepane-2,7-dione
CID 71345372
3-methyl-3-phenyloxolan-2-one
CID 15937425
(3S,7aR)-7a-methyl-2,2,3-triphenyl-6,7-dihydro-3H-pyrrolo[2,1-b][1,3]oxazol-5-one
CID 15362456
1-amino-3-ethyl-3-phenylpiperidine-2,6-dione
CID 13052894
3,3-dimethyl-1-(2-phenylethyl)piperidine-2,6-dione
CID 10514518

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-3-phenylpiperidine-2,6-dione?
The IUPAC name of 1,3-dimethyl-3-phenylpiperidine-2,6-dione (CID 13260886) is 1,3-dimethyl-3-phenylpiperidine-2,6-dione.
What is the SMILES notation for 1,3-dimethyl-3-phenylpiperidine-2,6-dione?
The canonical SMILES for 1,3-dimethyl-3-phenylpiperidine-2,6-dione is CN1C(=O)CCC(C)(c2ccccc2)C1=O.
What is the InChIKey of 1,3-dimethyl-3-phenylpiperidine-2,6-dione?
The InChIKey is KXPCFAKODGXTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-13(10-6-4-3-5-7-10)9-8-11(15)14(2)12(13)16/h3-7H,8-9H2,1-2H3.
What are the key properties of 1,3-dimethyl-3-phenylpiperidine-2,6-dione?
1,3-dimethyl-3-phenylpiperidine-2,6-dione has a molecular weight of 217.27 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-3-phenylpiperidine-2,6-dione is sourced from PubChem (CID 13260886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).