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

N-({1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl}methyl)-N-methyl-2-phenoxyacetamide

ChemBase ID: 340861
Molecular Formular: C23H29ClN2O2
Molecular Mass: 400.94156
Monoisotopic Mass: 400.19175586
SMILES and InChIs

SMILES:
C(=O)(N(CC1CN(CCc2ccc(Cl)cc2)CCC1)C)COc1ccccc1
Canonical SMILES:
Clc1ccc(cc1)CCN1CCCC(C1)CN(C(=O)COc1ccccc1)C
InChI:
InChI=1S/C23H29ClN2O2/c1-25(23(27)18-28-22-7-3-2-4-8-22)16-20-6-5-14-26(17-20)15-13-19-9-11-21(24)12-10-19/h2-4,7-12,20H,5-6,13-18H2,1H3
InChIKey:
RSHGSCQBJWTOQA-UHFFFAOYSA-N

Cite this record

CBID:340861 http://www.chembase.cn/molecule-340861.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

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

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 13938884 external link Add to cart
Data Source Data ID Price
ChemBridge
13938884 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 16.614899  H Acceptors
H Donor LogD (pH = 5.5) 0.8300312 
LogD (pH = 7.4) 2.371568  Log P 4.08011 
Molar Refractivity 114.5641 cm3 Polarizability 44.64414 Å3
Polar Surface Area 32.78 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 4.57  LOG S -4.1 
Polar Surface Area 32.78 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