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1-[(2-fluorophenyl)methyl]-5-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]piperidin-2-one

ChemBase ID: 420044
Molecular Formular: C24H28FN3O3
Molecular Mass: 425.4958232
Monoisotopic Mass: 425.21146999
SMILES and InChIs

SMILES:
N1(C(=O)CCC(C(=O)N2CCC(CC2)OCc2ncccc2)C1)Cc1c(F)cccc1
Canonical SMILES:
O=C(C1CCC(=O)N(C1)Cc1ccccc1F)N1CCC(CC1)OCc1ccccn1
InChI:
InChI=1S/C24H28FN3O3/c25-22-7-2-1-5-18(22)15-28-16-19(8-9-23(28)29)24(30)27-13-10-21(11-14-27)31-17-20-6-3-4-12-26-20/h1-7,12,19,21H,8-11,13-17H2
InChIKey:
MRUBQDNSHCBIBC-UHFFFAOYSA-N

Cite this record

CBID:420044 http://www.chembase.cn/molecule-420044.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-[(2-fluorophenyl)methyl]-5-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]piperidin-2-one
IUPAC Traditional name
1-[(2-fluorophenyl)methyl]-5-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]piperidin-2-one
Synonyms
1-(2-fluorobenzyl)-5-{[4-(2-pyridinylmethoxy)-1-piperidinyl]carbonyl}-2-piperidinone

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 1.51619  LogD (pH = 7.4) 1.5242271 
Log P 1.5243306  Molar Refractivity 114.6951 cm3
Polarizability 44.28974 Å3 Polar Surface Area 62.74 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.02  LOG S -3.43 
Polar Surface Area 62.74 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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