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2-{3-[2-(3-methoxyphenyl)ethyl]piperidine-1-carbonyl}pyrazine

ChemBase ID: 470101
Molecular Formular: C19H23N3O2
Molecular Mass: 325.40482
Monoisotopic Mass: 325.17902699
SMILES and InChIs

SMILES:
N1(C(=O)c2nccnc2)CC(CCc2cc(OC)ccc2)CCC1
Canonical SMILES:
COc1cccc(c1)CCC1CCCN(C1)C(=O)c1cnccn1
InChI:
InChI=1S/C19H23N3O2/c1-24-17-6-2-4-15(12-17)7-8-16-5-3-11-22(14-16)19(23)18-13-20-9-10-21-18/h2,4,6,9-10,12-13,16H,3,5,7-8,11,14H2,1H3
InChIKey:
FJJOGCQOFGWLKT-UHFFFAOYSA-N

Cite this record

CBID:470101 http://www.chembase.cn/molecule-470101.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-{3-[2-(3-methoxyphenyl)ethyl]piperidine-1-carbonyl}pyrazine
IUPAC Traditional name
2-{3-[2-(3-methoxyphenyl)ethyl]piperidine-1-carbonyl}pyrazine
Synonyms
2-({3-[2-(3-methoxyphenyl)ethyl]-1-piperidinyl}carbonyl)pyrazine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

供应商提供(Chembridge) JChem
Rotatable Bonds H Acceptors
H Donor Log P 2.13 
LOG S -3.71  Polar Surface Area 55.32 Å2
Lipinski's Rule of Five true  H Acceptors
H Donor LogD (pH = 5.5) 2.3023524 
LogD (pH = 7.4) 2.3023527  Log P 2.3023527 
Molar Refractivity 92.6178 cm3 Polarizability 35.573143 Å3
Polar Surface Area 55.32 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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