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1-(furan-2-carbonyl)-N-(6-phenoxypyridin-3-yl)piperidine-4-carboxamide

ChemBase ID: 341346
Molecular Formular: C22H21N3O4
Molecular Mass: 391.41984
Monoisotopic Mass: 391.15320617
SMILES and InChIs

SMILES:
C(=O)(N1CCC(C(=O)Nc2cnc(Oc3ccccc3)cc2)CC1)c1occc1
Canonical SMILES:
O=C(C1CCN(CC1)C(=O)c1ccco1)Nc1ccc(nc1)Oc1ccccc1
InChI:
InChI=1S/C22H21N3O4/c26-21(16-10-12-25(13-11-16)22(27)19-7-4-14-28-19)24-17-8-9-20(23-15-17)29-18-5-2-1-3-6-18/h1-9,14-16H,10-13H2,(H,24,26)
InChIKey:
NWRSZLDEMSCBTC-UHFFFAOYSA-N

Cite this record

CBID:341346 http://www.chembase.cn/molecule-341346.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(furan-2-carbonyl)-N-(6-phenoxypyridin-3-yl)piperidine-4-carboxamide
IUPAC Traditional name
1-(furan-2-carbonyl)-N-(6-phenoxypyridin-3-yl)piperidine-4-carboxamide
Synonyms
1-(2-furoyl)-N-(6-phenoxy-3-pyridinyl)-4-piperidinecarboxamide

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)
Acid pKa 12.890324  H Acceptors
H Donor LogD (pH = 5.5) 2.7159543 
LogD (pH = 7.4) 2.7159681  Log P 2.7159698 
Molar Refractivity 108.3773 cm3 Polarizability 40.598835 Å3
Polar Surface Area 84.67 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.24  LOG S -5.27 
Polar Surface Area 84.67 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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