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4-{4-[1-(pyridin-4-ylmethyl)-1H-imidazol-2-yl]piperidine-1-carbonyl}morpholine

ChemBase ID: 470176
Molecular Formular: C19H25N5O2
Molecular Mass: 355.4341
Monoisotopic Mass: 355.20082507
SMILES and InChIs

SMILES:
C(=O)(N1CCC(c2n(ccn2)Cc2ccncc2)CC1)N1CCOCC1
Canonical SMILES:
O=C(N1CCOCC1)N1CCC(CC1)c1nccn1Cc1ccncc1
InChI:
InChI=1S/C19H25N5O2/c25-19(23-11-13-26-14-12-23)22-8-3-17(4-9-22)18-21-7-10-24(18)15-16-1-5-20-6-2-16/h1-2,5-7,10,17H,3-4,8-9,11-15H2
InChIKey:
SLKQYKTWISOVNK-UHFFFAOYSA-N

Cite this record

CBID:470176 http://www.chembase.cn/molecule-470176.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-{4-[1-(pyridin-4-ylmethyl)-1H-imidazol-2-yl]piperidine-1-carbonyl}morpholine
IUPAC Traditional name
4-{4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl}morpholine
Synonyms
4-({4-[1-(4-pyridinylmethyl)-1H-imidazol-2-yl]-1-piperidinyl}carbonyl)morpholine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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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) -0.612535  LogD (pH = 7.4) 0.28385636 
Log P 0.3171436  Molar Refractivity 98.348 cm3
Polarizability 37.607376 Å3 Polar Surface Area 63.49 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.08  LOG S -1.87 
Polar Surface Area 63.49 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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