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1-cyclopropanecarbonyl-4-{4-[3-(4-fluorophenyl)pyrrolidine-1-carbonyl]phenoxy}piperidine

ChemBase ID: 322813
Molecular Formular: C26H29FN2O3
Molecular Mass: 436.5184632
Monoisotopic Mass: 436.21622102
SMILES and InChIs

SMILES:
N1(C(=O)c2ccc(OC3CCN(C(=O)C4CC4)CC3)cc2)CC(c2ccc(cc2)F)CC1
Canonical SMILES:
Fc1ccc(cc1)C1CCN(C1)C(=O)c1ccc(cc1)OC1CCN(CC1)C(=O)C1CC1
InChI:
InChI=1S/C26H29FN2O3/c27-22-7-3-18(4-8-22)21-11-14-29(17-21)26(31)20-5-9-23(10-6-20)32-24-12-15-28(16-13-24)25(30)19-1-2-19/h3-10,19,21,24H,1-2,11-17H2
InChIKey:
HIGIZTKGPPHERE-UHFFFAOYSA-N

Cite this record

CBID:322813 http://www.chembase.cn/molecule-322813.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-cyclopropanecarbonyl-4-{4-[3-(4-fluorophenyl)pyrrolidine-1-carbonyl]phenoxy}piperidine
IUPAC Traditional name
1-cyclopropanecarbonyl-4-{4-[3-(4-fluorophenyl)pyrrolidine-1-carbonyl]phenoxy}piperidine
Synonyms
1-(cyclopropylcarbonyl)-4-(4-{[3-(4-fluorophenyl)-1-pyrrolidinyl]carbonyl}phenoxy)piperidine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 11343918 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)
H Acceptors H Donor
LogD (pH = 5.5) 3.1943395  LogD (pH = 7.4) 3.1943398 
Log P 3.1943398  Molar Refractivity 120.8385 cm3
Polarizability 46.058037 Å3 Polar Surface Area 49.85 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.17  LOG S -6.11 
Polar Surface Area 49.85 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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