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

N-{1-[(2-fluorophenyl)methyl]piperidin-3-yl}-N-methyl-1H-indole-6-carboxamide

ChemBase ID: 470138
Molecular Formular: C22H24FN3O
Molecular Mass: 365.4438632
Monoisotopic Mass: 365.19034062
SMILES and InChIs

SMILES:
C(=O)(N(C1CN(Cc2c(F)cccc2)CCC1)C)c1cc2[nH]ccc2cc1
Canonical SMILES:
CN(C(=O)c1ccc2c(c1)[nH]cc2)C1CCCN(C1)Cc1ccccc1F
InChI:
InChI=1S/C22H24FN3O/c1-25(22(27)17-9-8-16-10-11-24-21(16)13-17)19-6-4-12-26(15-19)14-18-5-2-3-7-20(18)23/h2-3,5,7-11,13,19,24H,4,6,12,14-15H2,1H3
InChIKey:
KWAKDIPSJFMNOH-UHFFFAOYSA-N

Cite this record

CBID:470138 http://www.chembase.cn/molecule-470138.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-{1-[(2-fluorophenyl)methyl]piperidin-3-yl}-N-methyl-1H-indole-6-carboxamide
IUPAC Traditional name
N-{1-[(2-fluorophenyl)methyl]piperidin-3-yl}-N-methyl-1H-indole-6-carboxamide
Synonyms
N-[1-(2-fluorobenzyl)-3-piperidinyl]-N-methyl-1H-indole-6-carboxamide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 33903740 external link Add to cart
Data Source Data ID Price
ChemBridge
33903740 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 15.056158  H Acceptors
H Donor LogD (pH = 5.5) 1.8843204 
LogD (pH = 7.4) 3.4493415  Log P 3.7213843 
Molar Refractivity 106.0756 cm3 Polarizability 41.30149 Å3
Polar Surface Area 39.34 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 4.0  LOG S -4.43 
Polar Surface Area 39.34 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