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4-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-N-[3-(1H-imidazol-1-yl)propyl]benzamide

ChemBase ID: 321457
Molecular Formular: C22H28N4O3
Molecular Mass: 396.48272
Monoisotopic Mass: 396.21614078
SMILES and InChIs

SMILES:
C(=O)(N1CCC(CC1)Oc1ccc(C(=O)NCCCn2cncc2)cc1)C1CC1
Canonical SMILES:
O=C(c1ccc(cc1)OC1CCN(CC1)C(=O)C1CC1)NCCCn1ccnc1
InChI:
InChI=1S/C22H28N4O3/c27-21(24-10-1-12-25-15-11-23-16-25)17-4-6-19(7-5-17)29-20-8-13-26(14-9-20)22(28)18-2-3-18/h4-7,11,15-16,18,20H,1-3,8-10,12-14H2,(H,24,27)
InChIKey:
BVEQSGXBJXNENG-UHFFFAOYSA-N

Cite this record

CBID:321457 http://www.chembase.cn/molecule-321457.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-N-[3-(1H-imidazol-1-yl)propyl]benzamide
IUPAC Traditional name
4-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-N-[3-(imidazol-1-yl)propyl]benzamide
Synonyms
4-{[1-(cyclopropylcarbonyl)-4-piperidinyl]oxy}-N-[3-(1H-imidazol-1-yl)propyl]benzamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 11154219 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 15.063539  H Acceptors
H Donor LogD (pH = 5.5) 0.35743755 
LogD (pH = 7.4) 0.8216089  Log P 0.8902742 
Molar Refractivity 110.4237 cm3 Polarizability 42.109215 Å3
Polar Surface Area 76.46 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.33  LOG S -4.81 
Polar Surface Area 76.46 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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