5-(4-methoxyphenyl)piperidine-2,4-dione

C12H13NO3 — CID 139466443

IUPAC5-(4-methoxyphenyl)piperidine-2,4-dione
SMILESCOc1ccc(C2CNC(=O)CC2=O)cc1
InChIInChI=1S/C12H13NO3/c1-16-9-4-2-8(3-5-9)10-7-13-12(15)6-11(10)14/h2-5,10H,6-7H2,1H3,(H,13,15)
InChIKeyNIFUKUODVAQOFJ-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.87
Rot. Bonds2

About 5-(4-methoxyphenyl)piperidine-2,4-dione

5-(4-methoxyphenyl)piperidine-2,4-dione (PubChem CID 139466443) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)piperidine-2,4-dione.

Molecular Properties

Compound Name5-(4-methoxyphenyl)piperidine-2,4-dione
PubChem CID139466443
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name5-(4-methoxyphenyl)piperidine-2,4-dione
SMILESCOc1ccc(C2CNC(=O)CC2=O)cc1
InChIInChI=1S/C12H13NO3/c1-16-9-4-2-8(3-5-9)10-7-13-12(15)6-11(10)14/h2-5,10H,6-7H2,1H3,(H,13,15)
InChIKeyNIFUKUODVAQOFJ-UHFFFAOYSA-N
XLogP0.87
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(5S)-5-(4-methoxyphenyl)piperazin-2-one
CID 124546630
(3S)-3-(4-methoxyphenyl)pyrrolidin-2-one
CID 94827666
5-[4-(4-methoxyphenyl)phenyl]-1,3-oxazolidin-2-one
CID 82367269
(4S)-4-(4-methoxyphenyl)-2-azaspiro[4.4]nonan-1-one
CID 125451516
5-(2-fluoro-4-methoxyphenyl)-4-hydroxyiminopiperidin-2-one
CID 151803941
ethane;3-(4-methoxyphenyl)-1,4-diazepan-2-one
CID 171840578
5-(4-methoxyphenyl)thiomorpholin-3-one
CID 105480891
(3S)-3-(4-methoxyphenyl)oxolan-2-one
CID 124514698
(4R)-4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid
CID 86325180
4-(4-methoxyphenyl)-5-methylpyrrolidin-2-one
CID 13427349
(4R)-5,7-dimethoxy-4-(4-methoxyphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 7248901
(4S)-4-(4-methoxyphenyl)-2-oxo-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile
CID 915496

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)piperidine-2,4-dione?
The IUPAC name of 5-(4-methoxyphenyl)piperidine-2,4-dione (CID 139466443) is 5-(4-methoxyphenyl)piperidine-2,4-dione.
What is the SMILES notation for 5-(4-methoxyphenyl)piperidine-2,4-dione?
The canonical SMILES for 5-(4-methoxyphenyl)piperidine-2,4-dione is COc1ccc(C2CNC(=O)CC2=O)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)piperidine-2,4-dione?
The InChIKey is NIFUKUODVAQOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-16-9-4-2-8(3-5-9)10-7-13-12(15)6-11(10)14/h2-5,10H,6-7H2,1H3,(H,13,15).
What are the key properties of 5-(4-methoxyphenyl)piperidine-2,4-dione?
5-(4-methoxyphenyl)piperidine-2,4-dione has a molecular weight of 219.24 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)piperidine-2,4-dione is sourced from PubChem (CID 139466443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).