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N-[4-(3-fluorophenyl)phenyl]-1-propanoylpiperidine-3-carboxamide

ChemBase ID: 341580
Molecular Formular: C21H23FN2O2
Molecular Mass: 354.4179232
Monoisotopic Mass: 354.17435621
SMILES and InChIs

SMILES:
N1(C(=O)CC)CC(C(=O)Nc2ccc(c3cc(F)ccc3)cc2)CCC1
Canonical SMILES:
CCC(=O)N1CCCC(C1)C(=O)Nc1ccc(cc1)c1cccc(c1)F
InChI:
InChI=1S/C21H23FN2O2/c1-2-20(25)24-12-4-6-17(14-24)21(26)23-19-10-8-15(9-11-19)16-5-3-7-18(22)13-16/h3,5,7-11,13,17H,2,4,6,12,14H2,1H3,(H,23,26)
InChIKey:
HSTSZCULWLLNQW-UHFFFAOYSA-N

Cite this record

CBID:341580 http://www.chembase.cn/molecule-341580.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[4-(3-fluorophenyl)phenyl]-1-propanoylpiperidine-3-carboxamide
IUPAC Traditional name
N-[4-(3-fluorophenyl)phenyl]-1-propanoylpiperidine-3-carboxamide
Synonyms
N-(3'-fluoro-4-biphenylyl)-1-propionyl-3-piperidinecarboxamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 14039346 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 13.918217  H Acceptors
H Donor LogD (pH = 5.5) 3.5708468 
LogD (pH = 7.4) 3.5708468  Log P 3.570847 
Molar Refractivity 100.744 cm3 Polarizability 39.168835 Å3
Polar Surface Area 49.41 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.61  LOG S -5.12 
Polar Surface Area 49.41 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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