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

ethyl 4-{1,9-dimethyl-10-oxo-1,4,9-triazaspiro[5.6]dodecan-4-yl}piperidine-1-carboxylate

ChemBase ID: 340230
Molecular Formular: C19H34N4O3
Molecular Mass: 366.49826
Monoisotopic Mass: 366.26309097
SMILES and InChIs

SMILES:
C12(N(CCN(C1)C1CCN(C(=O)OCC)CC1)C)CCN(C(=O)CC2)C
Canonical SMILES:
CCOC(=O)N1CCC(CC1)N1CCN(C2(C1)CCC(=O)N(CC2)C)C
InChI:
InChI=1S/C19H34N4O3/c1-4-26-18(25)22-10-6-16(7-11-22)23-14-13-21(3)19(15-23)8-5-17(24)20(2)12-9-19/h16H,4-15H2,1-3H3
InChIKey:
IIWREPXFNQEKSH-UHFFFAOYSA-N

Cite this record

CBID:340230 http://www.chembase.cn/molecule-340230.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 4-{1,9-dimethyl-10-oxo-1,4,9-triazaspiro[5.6]dodecan-4-yl}piperidine-1-carboxylate
IUPAC Traditional name
ethyl 4-{1,9-dimethyl-10-oxo-1,4,9-triazaspiro[5.6]dodecan-4-yl}piperidine-1-carboxylate
Synonyms
ethyl 4-(1,9-dimethyl-10-oxo-1,4,9-triazaspiro[5.6]dodec-4-yl)piperidine-1-carboxylate

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 13843393 external link Add to cart
Data Source Data ID Price
ChemBridge
13843393 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) -3.5013795  LogD (pH = 7.4) -1.9898715 
Log P -0.21687405  Molar Refractivity 101.7435 cm3
Polarizability 39.715435 Å3 Polar Surface Area 56.33 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.38  LOG S -2.2 
Polar Surface Area 56.33 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