Home > Compound List > Compound details
91586-26-4 molecular structure
click picture or here to close

1-(4-methoxybenzoyl)piperidin-4-one

ChemBase ID: 815970
Molecular Formular: C13H15NO3
Molecular Mass: 233.2631
Monoisotopic Mass: 233.10519335
SMILES and InChIs

SMILES:
C1(=O)CCN(CC1)C(=O)c1ccc(cc1)OC
Canonical SMILES:
COc1ccc(cc1)C(=O)N1CCC(=O)CC1
InChI:
InChI=1S/C13H15NO3/c1-17-12-4-2-10(3-5-12)13(16)14-8-6-11(15)7-9-14/h2-5H,6-9H2,1H3
InChIKey:
VPFHRKGREARMOF-UHFFFAOYSA-N

Cite this record

CBID:815970 http://www.chembase.cn/molecule-815970.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(4-methoxybenzoyl)piperidin-4-one
IUPAC Traditional name
1-(4-methoxybenzoyl)piperidin-4-one
Synonyms
1-(4-METHOXY-BENZOYL)-PIPERIDIN-4-ONE
CAS Number
91586-26-4

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O39407 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O39407 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 18.691809  H Acceptors
H Donor LogD (pH = 5.5) 1.0965302 
LogD (pH = 7.4) 1.0965303  Log P 1.0965303 
Molar Refractivity 63.8684 cm3 Polarizability 24.244839 Å3
Polar Surface Area 46.61 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle