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

2-(1-methylpyrrolidin-3-yl)-9-(2-propoxyacetyl)-2,9-diazaspiro[5.5]undecan-3-one

ChemBase ID: 410179
Molecular Formular: C19H33N3O3
Molecular Mass: 351.48362
Monoisotopic Mass: 351.25219193
SMILES and InChIs

SMILES:
N1(C(=O)CCC2(C1)CCN(C(=O)COCCC)CC2)C1CN(CC1)C
Canonical SMILES:
CCCOCC(=O)N1CCC2(CC1)CCC(=O)N(C2)C1CCN(C1)C
InChI:
InChI=1S/C19H33N3O3/c1-3-12-25-14-18(24)21-10-7-19(8-11-21)6-4-17(23)22(15-19)16-5-9-20(2)13-16/h16H,3-15H2,1-2H3
InChIKey:
SAVGWSCXCASJHX-UHFFFAOYSA-N

Cite this record

CBID:410179 http://www.chembase.cn/molecule-410179.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(1-methylpyrrolidin-3-yl)-9-(2-propoxyacetyl)-2,9-diazaspiro[5.5]undecan-3-one
IUPAC Traditional name
2-(1-methylpyrrolidin-3-yl)-9-(2-propoxyacetyl)-2,9-diazaspiro[5.5]undecan-3-one
Synonyms
2-(1-methyl-3-pyrrolidinyl)-9-(propoxyacetyl)-2,9-diazaspiro[5.5]undecan-3-one

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 24364507 external link Add to cart
Data Source Data ID Price
ChemBridge
24364507 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 19.823692  H Acceptors
H Donor LogD (pH = 5.5) -2.6622713 
LogD (pH = 7.4) -0.88813734  Log P -0.026337659 
Molar Refractivity 97.7331 cm3 Polarizability 38.18652 Å3
Polar Surface Area 53.09 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.04  LOG S -2.65 
Polar Surface Area 53.09 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