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N-[4-(3-fluorophenyl)phenyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide

ChemBase ID: 340244
Molecular Formular: C24H24FN3O
Molecular Mass: 389.4652632
Monoisotopic Mass: 389.19034062
SMILES and InChIs

SMILES:
C(=O)(C1CN(Cc2cnccc2)CCC1)Nc1ccc(c2cc(F)ccc2)cc1
Canonical SMILES:
Fc1cccc(c1)c1ccc(cc1)NC(=O)C1CCCN(C1)Cc1cccnc1
InChI:
InChI=1S/C24H24FN3O/c25-22-7-1-5-20(14-22)19-8-10-23(11-9-19)27-24(29)21-6-3-13-28(17-21)16-18-4-2-12-26-15-18/h1-2,4-5,7-12,14-15,21H,3,6,13,16-17H2,(H,27,29)
InChIKey:
PNTUVUDBMZMCJM-UHFFFAOYSA-N

Cite this record

CBID:340244 http://www.chembase.cn/molecule-340244.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[4-(3-fluorophenyl)phenyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide
IUPAC Traditional name
N-[4-(3-fluorophenyl)phenyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide
Synonyms
N-(3'-fluoro-4-biphenylyl)-1-(3-pyridinylmethyl)-3-piperidinecarboxamide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 13845029 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 13.918901  H Acceptors
H Donor LogD (pH = 5.5) 1.2995445 
LogD (pH = 7.4) 3.0559392  Log P 4.1502175 
Molar Refractivity 114.3016 cm3 Polarizability 44.51773 Å3
Polar Surface Area 45.23 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 4.39  LOG S -5.09 
Polar Surface Area 45.23 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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