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

N-methyl-2-[1-(propan-2-yl)piperidin-4-yl]-N-[1-(1,3-thiazol-5-yl)ethyl]acetamide

ChemBase ID: 510291
Molecular Formular: C16H27N3OS
Molecular Mass: 309.47008
Monoisotopic Mass: 309.1874835
SMILES and InChIs

SMILES:
C(=O)(N(C(c1scnc1)C)C)CC1CCN(CC1)C(C)C
Canonical SMILES:
CC(N(C(=O)CC1CCN(CC1)C(C)C)C)c1scnc1
InChI:
InChI=1S/C16H27N3OS/c1-12(2)19-7-5-14(6-8-19)9-16(20)18(4)13(3)15-10-17-11-21-15/h10-14H,5-9H2,1-4H3
InChIKey:
CMULMVHWUSRRNX-UHFFFAOYSA-N

Cite this record

CBID:510291 http://www.chembase.cn/molecule-510291.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-methyl-2-[1-(propan-2-yl)piperidin-4-yl]-N-[1-(1,3-thiazol-5-yl)ethyl]acetamide
IUPAC Traditional name
2-(1-isopropylpiperidin-4-yl)-N-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]acetamide
Synonyms
2-(1-isopropyl-4-piperidinyl)-N-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]acetamide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 40503414 external link Add to cart
Data Source Data ID Price
ChemBridge
40503414 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) -1.53681  LogD (pH = 7.4) -0.12662348 
Log P 1.7979544  Molar Refractivity 87.752 cm3
Polarizability 34.048866 Å3 Polar Surface Area 36.44 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.35  LOG S -2.61 
Polar Surface Area 36.44 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