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N-{[1-(3,4-dimethoxybenzoyl)piperidin-3-yl]methyl}-4-fluorobenzamide

ChemBase ID: 341480
Molecular Formular: C22H25FN2O4
Molecular Mass: 400.4433032
Monoisotopic Mass: 400.17983551
SMILES and InChIs

SMILES:
N1(C(=O)c2cc(c(cc2)OC)OC)CC(CNC(=O)c2ccc(cc2)F)CCC1
Canonical SMILES:
COc1cc(ccc1OC)C(=O)N1CCCC(C1)CNC(=O)c1ccc(cc1)F
InChI:
InChI=1S/C22H25FN2O4/c1-28-19-10-7-17(12-20(19)29-2)22(27)25-11-3-4-15(14-25)13-24-21(26)16-5-8-18(23)9-6-16/h5-10,12,15H,3-4,11,13-14H2,1-2H3,(H,24,26)
InChIKey:
RBEMYDNSGJKMDN-UHFFFAOYSA-N

Cite this record

CBID:341480 http://www.chembase.cn/molecule-341480.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-{[1-(3,4-dimethoxybenzoyl)piperidin-3-yl]methyl}-4-fluorobenzamide
IUPAC Traditional name
N-{[1-(3,4-dimethoxybenzoyl)piperidin-3-yl]methyl}-4-fluorobenzamide
Synonyms
N-{[1-(3,4-dimethoxybenzoyl)-3-piperidinyl]methyl}-4-fluorobenzamide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 14025630 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 14.7629  H Acceptors
H Donor LogD (pH = 5.5) 2.4849534 
LogD (pH = 7.4) 2.4849539  Log P 2.4849539 
Molar Refractivity 108.2879 cm3 Polarizability 40.649593 Å3
Polar Surface Area 67.87 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.2  LOG S -4.26 
Polar Surface Area 67.87 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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