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4-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-N-methyl-N-(propan-2-yl)benzamide

ChemBase ID: 340184
Molecular Formular: C20H28N2O3
Molecular Mass: 344.44792
Monoisotopic Mass: 344.20999277
SMILES and InChIs

SMILES:
C(=O)(N(C(C)C)C)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1
Canonical SMILES:
CC(N(C(=O)c1ccc(cc1)OC1CCN(CC1)C(=O)C1CC1)C)C
InChI:
InChI=1S/C20H28N2O3/c1-14(2)21(3)19(23)15-6-8-17(9-7-15)25-18-10-12-22(13-11-18)20(24)16-4-5-16/h6-9,14,16,18H,4-5,10-13H2,1-3H3
InChIKey:
KZENQUVODRPTHH-UHFFFAOYSA-N

Cite this record

CBID:340184 http://www.chembase.cn/molecule-340184.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-methyl-N-(propan-2-yl)benzamide
IUPAC Traditional name
4-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-N-isopropyl-N-methylbenzamide
Synonyms
4-{[1-(cyclopropylcarbonyl)-4-piperidinyl]oxy}-N-isopropyl-N-methylbenzamide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 13836860 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)
H Acceptors H Donor
LogD (pH = 5.5) 1.9204463  LogD (pH = 7.4) 1.9204466 
Log P 1.9204466  Molar Refractivity 97.6819 cm3
Polarizability 37.530052 Å3 Polar Surface Area 49.85 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.68  LOG S -3.43 
Polar Surface Area 49.85 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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