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N-(4-acetylphenyl)-3-[3-(propan-2-yloxy)benzoyl]piperidine-1-carboxamide

ChemBase ID: 321076
Molecular Formular: C24H28N2O4
Molecular Mass: 408.49012
Monoisotopic Mass: 408.20490739
SMILES and InChIs

SMILES:
C(=O)(N1CC(C(=O)c2cc(OC(C)C)ccc2)CCC1)Nc1ccc(C(=O)C)cc1
Canonical SMILES:
CC(Oc1cccc(c1)C(=O)C1CCCN(C1)C(=O)Nc1ccc(cc1)C(=O)C)C
InChI:
InChI=1S/C24H28N2O4/c1-16(2)30-22-8-4-6-19(14-22)23(28)20-7-5-13-26(15-20)24(29)25-21-11-9-18(10-12-21)17(3)27/h4,6,8-12,14,16,20H,5,7,13,15H2,1-3H3,(H,25,29)
InChIKey:
UZFLQDHNSKFZTE-UHFFFAOYSA-N

Cite this record

CBID:321076 http://www.chembase.cn/molecule-321076.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(4-acetylphenyl)-3-[3-(propan-2-yloxy)benzoyl]piperidine-1-carboxamide
IUPAC Traditional name
N-(4-acetylphenyl)-3-(3-isopropoxybenzoyl)piperidine-1-carboxamide
Synonyms
N-(4-acetylphenyl)-3-(3-isopropoxybenzoyl)-1-piperidinecarboxamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 11096023 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 12.86317  H Acceptors
H Donor LogD (pH = 5.5) 3.481379 
LogD (pH = 7.4) 3.4813778  Log P 3.4813793 
Molar Refractivity 117.4695 cm3 Polarizability 44.404125 Å3
Polar Surface Area 75.71 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 4.04  LOG S -5.8 
Polar Surface Area 75.71 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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