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

N-(1-methylpiperidin-4-yl)-2-(morpholin-4-yl)-N-(2-phenylethyl)butanamide

ChemBase ID: 320394
Molecular Formular: C22H35N3O2
Molecular Mass: 373.5322
Monoisotopic Mass: 373.27292738
SMILES and InChIs

SMILES:
C(=O)(N(CCc1ccccc1)C1CCN(CC1)C)C(N1CCOCC1)CC
Canonical SMILES:
CCC(C(=O)N(C1CCN(CC1)C)CCc1ccccc1)N1CCOCC1
InChI:
InChI=1S/C22H35N3O2/c1-3-21(24-15-17-27-18-16-24)22(26)25(20-10-12-23(2)13-11-20)14-9-19-7-5-4-6-8-19/h4-8,20-21H,3,9-18H2,1-2H3
InChIKey:
HMPXTULPPNNOSW-UHFFFAOYSA-N

Cite this record

CBID:320394 http://www.chembase.cn/molecule-320394.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(1-methylpiperidin-4-yl)-2-(morpholin-4-yl)-N-(2-phenylethyl)butanamide
IUPAC Traditional name
N-(1-methylpiperidin-4-yl)-2-(morpholin-4-yl)-N-(2-phenylethyl)butanamide
Synonyms
N-(1-methyl-4-piperidinyl)-2-(4-morpholinyl)-N-(2-phenylethyl)butanamide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 11001260 external link Add to cart
Data Source Data ID Price
ChemBridge
11001260 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) -1.4319922  LogD (pH = 7.4) 1.104234 
Log P 2.221289  Molar Refractivity 110.5994 cm3
Polarizability 43.296013 Å3 Polar Surface Area 36.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.85  LOG S -4.36 
Polar Surface Area 36.02 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