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

1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-[2-(propan-2-yloxy)ethyl]piperidine-3-carboxamide

ChemBase ID: 370301
Molecular Formular: C25H39N3O2
Molecular Mass: 413.59606
Monoisotopic Mass: 413.3042275
SMILES and InChIs

SMILES:
N1(CC(C(=O)NCCOC(C)C)CCC1)C1CCN(C2Cc3c(C2)cccc3)CC1
Canonical SMILES:
CC(OCCNC(=O)C1CCCN(C1)C1CCN(CC1)C1Cc2c(C1)cccc2)C
InChI:
InChI=1S/C25H39N3O2/c1-19(2)30-15-11-26-25(29)22-8-5-12-28(18-22)23-9-13-27(14-10-23)24-16-20-6-3-4-7-21(20)17-24/h3-4,6-7,19,22-24H,5,8-18H2,1-2H3,(H,26,29)
InChIKey:
AVQOZGREYHGUHQ-UHFFFAOYSA-N

Cite this record

CBID:370301 http://www.chembase.cn/molecule-370301.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-[2-(propan-2-yloxy)ethyl]piperidine-3-carboxamide
IUPAC Traditional name
1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-(2-isopropoxyethyl)piperidine-3-carboxamide
Synonyms
1'-(2,3-dihydro-1H-inden-2-yl)-N-(2-isopropoxyethyl)-1,4'-bipiperidine-3-carboxamide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 18248684 external link Add to cart
Data Source Data ID Price
ChemBridge
18248684 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 15.829841  H Acceptors
H Donor LogD (pH = 5.5) -2.9139569 
LogD (pH = 7.4) -0.473762  Log P 2.7019246 
Molar Refractivity 122.9443 cm3 Polarizability 47.936855 Å3
Polar Surface Area 44.81 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.49  LOG S -5.2 
Polar Surface Area 44.81 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