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

5-[1-(2-methoxyacetyl)piperidin-4-yl]-5-(2-methylpropyl)-3-(thiophen-2-ylmethyl)imidazolidine-2,4-dione

ChemBase ID: 340346
Molecular Formular: C20H29N3O4S
Molecular Mass: 407.52696
Monoisotopic Mass: 407.18787742
SMILES and InChIs

SMILES:
N1(C(=O)NC(C1=O)(C1CCN(C(=O)COC)CC1)CC(C)C)Cc1sccc1
Canonical SMILES:
COCC(=O)N1CCC(CC1)C1(CC(C)C)NC(=O)N(C1=O)Cc1cccs1
InChI:
InChI=1S/C20H29N3O4S/c1-14(2)11-20(15-6-8-22(9-7-15)17(24)13-27-3)18(25)23(19(26)21-20)12-16-5-4-10-28-16/h4-5,10,14-15H,6-9,11-13H2,1-3H3,(H,21,26)
InChIKey:
CSNQMVWPJQJFPN-UHFFFAOYSA-N

Cite this record

CBID:340346 http://www.chembase.cn/molecule-340346.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-[1-(2-methoxyacetyl)piperidin-4-yl]-5-(2-methylpropyl)-3-(thiophen-2-ylmethyl)imidazolidine-2,4-dione
IUPAC Traditional name
5-[1-(2-methoxyacetyl)piperidin-4-yl]-5-(2-methylpropyl)-3-(thiophen-2-ylmethyl)imidazolidine-2,4-dione
Synonyms
5-isobutyl-5-[1-(methoxyacetyl)-4-piperidinyl]-3-(2-thienylmethyl)-2,4-imidazolidinedione

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 13860558 external link Add to cart
Data Source Data ID Price
ChemBridge
13860558 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 11.463465  H Acceptors
H Donor LogD (pH = 5.5) 1.8498216 
LogD (pH = 7.4) 1.849785  Log P 1.849822 
Molar Refractivity 106.5712 cm3 Polarizability 41.37953 Å3
Polar Surface Area 78.95 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.82  LOG S -3.36 
Polar Surface Area 78.95 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