Home > Compound List > Compound details
545445-44-1 molecular structure
click picture or here to close

3-(morpholin-4-yl)-1-[4-(2-oxopiperidin-1-yl)phenyl]-1,2,5,6-tetrahydropyridin-2-one

ChemBase ID: 289935
Molecular Formular: C20H25N3O3
Molecular Mass: 355.4308
Monoisotopic Mass: 355.18959168
SMILES and InChIs

SMILES:
O=C1C(=CCCN1c1ccc(N2C(=O)CCCC2)cc1)N1CCOCC1
Canonical SMILES:
O=C1C(=CCCN1c1ccc(cc1)N1CCCCC1=O)N1CCOCC1
InChI:
InChI=1S/C20H25N3O3/c24-19-5-1-2-10-22(19)16-6-8-17(9-7-16)23-11-3-4-18(20(23)25)21-12-14-26-15-13-21/h4,6-9H,1-3,5,10-15H2
InChIKey:
SCVWQFDPLBFZAP-UHFFFAOYSA-N

Cite this record

CBID:289935 http://www.chembase.cn/molecule-289935.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(morpholin-4-yl)-1-[4-(2-oxopiperidin-1-yl)phenyl]-1,2,5,6-tetrahydropyridin-2-one
IUPAC Traditional name
3-(morpholin-4-yl)-1-[4-(2-oxopiperidin-1-yl)phenyl]-5,6-dihydropyridin-2-one
Synonyms
3-Morpholino-1-(4-(2-oxopiperidin-1-yl)phenyl)-5,6-dihydropyridin-2(1H)-one
3-Morpholin-4-yl-1-[4-(2-oxopiperidin-1-yl)phenyl]-5,6-dihydro-1H-pyridin-2-one
CAS Number
545445-44-1
PubChem SID
180675466
PubChem CID
22352226

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 22352226 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.95868874  LogD (pH = 7.4) 0.9590501 
Log P 0.9590547  Molar Refractivity 100.8704 cm3
Polarizability 37.911148 Å3 Polar Surface Area 53.09 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

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