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146714-63-8 molecular structure
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2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(pyridin-2-yl)acetamide

ChemBase ID: 173118
Molecular Formular: C18H22N4O2
Molecular Mass: 326.39288
Monoisotopic Mass: 326.17427596
SMILES and InChIs

SMILES:
N(C(=O)CN1CCN(CC1)c1ccccc1OC)c1ncccc1
Canonical SMILES:
COc1ccccc1N1CCN(CC1)CC(=O)Nc1ccccn1
InChI:
InChI=1S/C18H22N4O2/c1-24-16-7-3-2-6-15(16)22-12-10-21(11-13-22)14-18(23)20-17-8-4-5-9-19-17/h2-9H,10-14H2,1H3,(H,19,20,23)
InChIKey:
DBPWHBFPTPHVLC-UHFFFAOYSA-N

Cite this record

CBID:173118 http://www.chembase.cn/molecule-173118.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(pyridin-2-yl)acetamide
IUPAC Traditional name
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(pyridin-2-yl)acetamide
Synonyms
4-(2-Methoxyphenyl)-N-2-pyridinyl-1-piperazineacetamide
CAS Number
146714-63-8
PubChem SID
164229028
PubChem CID
10019285

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC M266120 external link Add to cart
PubChem 10019285 external link
Data Source Data ID Price
TRC
M266120 external link Add to cart Please log in.
Data Source Data ID
PubChem 10019285 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.835271  H Acceptors
H Donor LogD (pH = 5.5) 1.6215609 
LogD (pH = 7.4) 2.0503783  Log P 2.0598083 
Molar Refractivity 95.5184 cm3 Polarizability 35.729424 Å3
Polar Surface Area 57.7 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Dichloromethane expand Show data source
Apperance
Light Brown Solid expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - M266120 external link
Used in the preparation of WAY 100635 (W49865), a dopamine D4 receptor.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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