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N-cyclopropyl-3-(1-{[4-(trifluoromethoxy)phenyl]methyl}piperidin-3-yl)propanamide

ChemBase ID: 341343
Molecular Formular: C19H25F3N2O2
Molecular Mass: 370.4092096
Monoisotopic Mass: 370.18681271
SMILES and InChIs

SMILES:
C(Oc1ccc(CN2CC(CCC(=O)NC3CC3)CCC2)cc1)(F)(F)F
Canonical SMILES:
O=C(NC1CC1)CCC1CCCN(C1)Cc1ccc(cc1)OC(F)(F)F
InChI:
InChI=1S/C19H25F3N2O2/c20-19(21,22)26-17-8-3-15(4-9-17)13-24-11-1-2-14(12-24)5-10-18(25)23-16-6-7-16/h3-4,8-9,14,16H,1-2,5-7,10-13H2,(H,23,25)
InChIKey:
BJVZUCFMLHKQEX-UHFFFAOYSA-N

Cite this record

CBID:341343 http://www.chembase.cn/molecule-341343.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-cyclopropyl-3-(1-{[4-(trifluoromethoxy)phenyl]methyl}piperidin-3-yl)propanamide
IUPAC Traditional name
N-cyclopropyl-3-(1-{[4-(trifluoromethoxy)phenyl]methyl}piperidin-3-yl)propanamide
Synonyms
N-cyclopropyl-3-{1-[4-(trifluoromethoxy)benzyl]-3-piperidinyl}propanamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 15.782265  H Acceptors
H Donor LogD (pH = 5.5) 1.0078449 
LogD (pH = 7.4) 2.7216222  Log P 4.0122867 
Molar Refractivity 89.0821 cm3 Polarizability 35.445866 Å3
Polar Surface Area 41.57 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.3  LOG S -4.16 
Polar Surface Area 41.57 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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