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

8-[3-(dimethylamino)propanoyl]-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one

ChemBase ID: 320576
Molecular Formular: C20H30N4O2
Molecular Mass: 358.4778
Monoisotopic Mass: 358.23687622
SMILES and InChIs

SMILES:
N1(C(=O)CCC2(C1)CN(C(=O)CCN(C)C)CCC2)Cc1ncccc1
Canonical SMILES:
CN(CCC(=O)N1CCCC2(C1)CCC(=O)N(C2)Cc1ccccn1)C
InChI:
InChI=1S/C20H30N4O2/c1-22(2)13-8-19(26)23-12-5-9-20(15-23)10-7-18(25)24(16-20)14-17-6-3-4-11-21-17/h3-4,6,11H,5,7-10,12-16H2,1-2H3
InChIKey:
YLHIJRZZXHLYCU-UHFFFAOYSA-N

Cite this record

CBID:320576 http://www.chembase.cn/molecule-320576.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
8-[3-(dimethylamino)propanoyl]-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
IUPAC Traditional name
8-[3-(dimethylamino)propanoyl]-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
Synonyms
8-(N,N-dimethyl-beta-alanyl)-2-(2-pyridinylmethyl)-2,8-diazaspiro[5.5]undecan-3-one

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 11026387 external link Add to cart
Data Source Data ID Price
ChemBridge
11026387 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) -3.1103816  LogD (pH = 7.4) -1.5726016 
Log P 0.1742984  Molar Refractivity 101.3293 cm3
Polarizability 39.53754 Å3 Polar Surface Area 56.75 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.37  LOG S -0.83 
Polar Surface Area 56.75 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