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N-cyclopropyl-2-(4-{[(2-fluoro-4-methoxyphenyl)carbamoyl]amino}piperidin-1-yl)acetamide

ChemBase ID: 470600
Molecular Formular: C18H25FN4O3
Molecular Mass: 364.4145032
Monoisotopic Mass: 364.1910689
SMILES and InChIs

SMILES:
C(=O)(Nc1c(cc(cc1)OC)F)NC1CCN(CC(=O)NC2CC2)CC1
Canonical SMILES:
COc1ccc(c(c1)F)NC(=O)NC1CCN(CC1)CC(=O)NC1CC1
InChI:
InChI=1S/C18H25FN4O3/c1-26-14-4-5-16(15(19)10-14)22-18(25)21-13-6-8-23(9-7-13)11-17(24)20-12-2-3-12/h4-5,10,12-13H,2-3,6-9,11H2,1H3,(H,20,24)(H2,21,22,25)
InChIKey:
NWZONIKUVFCVDU-UHFFFAOYSA-N

Cite this record

CBID:470600 http://www.chembase.cn/molecule-470600.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-cyclopropyl-2-(4-{[(2-fluoro-4-methoxyphenyl)carbamoyl]amino}piperidin-1-yl)acetamide
IUPAC Traditional name
N-cyclopropyl-2-(4-{[(2-fluoro-4-methoxyphenyl)carbamoyl]amino}piperidin-1-yl)acetamide
Synonyms
N-cyclopropyl-2-[4-({[(2-fluoro-4-methoxyphenyl)amino]carbonyl}amino)piperidin-1-yl]acetamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 33980249 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 11.735663  H Acceptors
H Donor LogD (pH = 5.5) -1.1870403 
LogD (pH = 7.4) 0.27697363  Log P 0.47320482 
Molar Refractivity 96.6398 cm3 Polarizability 36.447773 Å3
Polar Surface Area 82.7 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.11  LOG S -2.81 
Polar Surface Area 82.7 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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