Home > Compound List > Compound details
 molecular structure
click picture or here to close

3-(2-ethyl-1H-imidazol-1-yl)-N-{1-[(2-fluorophenyl)methyl]piperidin-3-yl}-N-methylpropanamide

ChemBase ID: 340760
Molecular Formular: C21H29FN4O
Molecular Mass: 372.4795632
Monoisotopic Mass: 372.23253979
SMILES and InChIs

SMILES:
n1(c(ncc1)CC)CCC(=O)N(C1CN(Cc2c(F)cccc2)CCC1)C
Canonical SMILES:
CCc1nccn1CCC(=O)N(C1CCCN(C1)Cc1ccccc1F)C
InChI:
InChI=1S/C21H29FN4O/c1-3-20-23-11-14-26(20)13-10-21(27)24(2)18-8-6-12-25(16-18)15-17-7-4-5-9-19(17)22/h4-5,7,9,11,14,18H,3,6,8,10,12-13,15-16H2,1-2H3
InChIKey:
NPKOLHSDQGRYHQ-UHFFFAOYSA-N

Cite this record

CBID:340760 http://www.chembase.cn/molecule-340760.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(2-ethyl-1H-imidazol-1-yl)-N-{1-[(2-fluorophenyl)methyl]piperidin-3-yl}-N-methylpropanamide
IUPAC Traditional name
3-(2-ethylimidazol-1-yl)-N-{1-[(2-fluorophenyl)methyl]piperidin-3-yl}-N-methylpropanamide
Synonyms
3-(2-ethyl-1H-imidazol-1-yl)-N-[1-(2-fluorobenzyl)-3-piperidinyl]-N-methylpropanamide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 13924168 external link Add to cart
Data Source Data ID Price
ChemBridge
13924168 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) -0.35420454  LogD (pH = 7.4) 2.0706446 
Log P 2.6088421  Molar Refractivity 105.436 cm3
Polarizability 40.413986 Å3 Polar Surface Area 41.37 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.45  LOG S -2.93 
Polar Surface Area 41.37 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

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