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

2-[2-methyl-3-({[1-(3-phenylpropyl)piperidin-3-yl]amino}methyl)-1H-indol-1-yl]acetamide

ChemBase ID: 323556
Molecular Formular: C26H34N4O
Molecular Mass: 418.57436
Monoisotopic Mass: 418.27326173
SMILES and InChIs

SMILES:
n1(c(c(c2c1cccc2)CNC1CN(CCCc2ccccc2)CCC1)C)CC(=O)N
Canonical SMILES:
NC(=O)Cn1c(C)c(c2c1cccc2)CNC1CCCN(C1)CCCc1ccccc1
InChI:
InChI=1S/C26H34N4O/c1-20-24(23-13-5-6-14-25(23)30(20)19-26(27)31)17-28-22-12-8-16-29(18-22)15-7-11-21-9-3-2-4-10-21/h2-6,9-10,13-14,22,28H,7-8,11-12,15-19H2,1H3,(H2,27,31)
InChIKey:
GPMSHUJIWCEFST-UHFFFAOYSA-N

Cite this record

CBID:323556 http://www.chembase.cn/molecule-323556.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[2-methyl-3-({[1-(3-phenylpropyl)piperidin-3-yl]amino}methyl)-1H-indol-1-yl]acetamide
IUPAC Traditional name
2-[2-methyl-3-({[1-(3-phenylpropyl)piperidin-3-yl]amino}methyl)indol-1-yl]acetamide
Synonyms
2-[2-methyl-3-({[1-(3-phenylpropyl)-3-piperidinyl]amino}methyl)-1H-indol-1-yl]acetamide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 11449585 external link Add to cart
Data Source Data ID Price
ChemBridge
11449585 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 16.23493  H Acceptors
H Donor LogD (pH = 5.5) 0.013380101 
LogD (pH = 7.4) 1.2745398  Log P 3.6665468 
Molar Refractivity 127.5446 cm3 Polarizability 50.675186 Å3
Polar Surface Area 63.29 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 4.36  LOG S -3.41 
Polar Surface Area 63.29 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