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

N-(2-chlorophenyl)-3-(1-{[4-(2-hydroxyethoxy)phenyl]methyl}piperidin-4-yl)propanamide

ChemBase ID: 370540
Molecular Formular: C23H29ClN2O3
Molecular Mass: 416.94096
Monoisotopic Mass: 416.18667048
SMILES and InChIs

SMILES:
N(C(=O)CCC1CCN(Cc2ccc(cc2)OCCO)CC1)c1c(Cl)cccc1
Canonical SMILES:
OCCOc1ccc(cc1)CN1CCC(CC1)CCC(=O)Nc1ccccc1Cl
InChI:
InChI=1S/C23H29ClN2O3/c24-21-3-1-2-4-22(21)25-23(28)10-7-18-11-13-26(14-12-18)17-19-5-8-20(9-6-19)29-16-15-27/h1-6,8-9,18,27H,7,10-17H2,(H,25,28)
InChIKey:
HTKDMELZUSHRDZ-UHFFFAOYSA-N

Cite this record

CBID:370540 http://www.chembase.cn/molecule-370540.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(2-chlorophenyl)-3-(1-{[4-(2-hydroxyethoxy)phenyl]methyl}piperidin-4-yl)propanamide
IUPAC Traditional name
N-(2-chlorophenyl)-3-(1-{[4-(2-hydroxyethoxy)phenyl]methyl}piperidin-4-yl)propanamide
Synonyms
N-(2-chlorophenyl)-3-{1-[4-(2-hydroxyethoxy)benzyl]-4-piperidinyl}propanamide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 18284545 external link Add to cart
Data Source Data ID Price
ChemBridge
18284545 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 12.733921  H Acceptors
H Donor LogD (pH = 5.5) 0.62384105 
LogD (pH = 7.4) 2.229188  Log P 3.8114967 
Molar Refractivity 117.9963 cm3 Polarizability 45.342903 Å3
Polar Surface Area 61.8 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.32  LOG S -4.71 
Polar Surface Area 61.8 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