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2-[1-(2-fluorophenyl)piperidin-4-yl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one

ChemBase ID: 470087
Molecular Formular: C20H28FN3O
Molecular Mass: 345.4542232
Monoisotopic Mass: 345.22164075
SMILES and InChIs

SMILES:
C12(C(=O)N(CCC2)C)CN(C2CCN(c3c(F)cccc3)CC2)CC1
Canonical SMILES:
CN1CCCC2(C1=O)CCN(C2)C1CCN(CC1)c1ccccc1F
InChI:
InChI=1S/C20H28FN3O/c1-22-11-4-9-20(19(22)25)10-14-24(15-20)16-7-12-23(13-8-16)18-6-3-2-5-17(18)21/h2-3,5-6,16H,4,7-15H2,1H3
InChIKey:
UUVOEYIRHRTGMC-UHFFFAOYSA-N

Cite this record

CBID:470087 http://www.chembase.cn/molecule-470087.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[1-(2-fluorophenyl)piperidin-4-yl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
IUPAC Traditional name
2-[1-(2-fluorophenyl)piperidin-4-yl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
Synonyms
2-[1-(2-fluorophenyl)-4-piperidinyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one

DATA SOURCES

DATA SOURCES

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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) -1.2774305  LogD (pH = 7.4) -0.6014804 
Log P 2.2027068  Molar Refractivity 98.767 cm3
Polarizability 37.455437 Å3 Polar Surface Area 26.79 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.79  LOG S -4.1 
Polar Surface Area 26.79 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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