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N-{1-[1-(cyclohex-1-ene-1-carbonyl)piperidin-4-yl]-1H-pyrazol-5-yl}-3-phenylpropanamide

ChemBase ID: 866253
Molecular Formular: C24H30N4O2
Molecular Mass: 406.5206
Monoisotopic Mass: 406.23687622
SMILES and InChIs

SMILES:
c1(n(ncc1)C1CCN(C(=O)C2=CCCCC2)CC1)NC(=O)CCc1ccccc1
Canonical SMILES:
O=C(Nc1ccnn1C1CCN(CC1)C(=O)C1=CCCCC1)CCc1ccccc1
InChI:
InChI=1S/C24H30N4O2/c29-23(12-11-19-7-3-1-4-8-19)26-22-13-16-25-28(22)21-14-17-27(18-15-21)24(30)20-9-5-2-6-10-20/h1,3-4,7-9,13,16,21H,2,5-6,10-12,14-15,17-18H2,(H,26,29)
InChIKey:
FSJQLMQGOHJROT-UHFFFAOYSA-N

Cite this record

CBID:866253 http://www.chembase.cn/molecule-866253.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-{1-[1-(cyclohex-1-ene-1-carbonyl)piperidin-4-yl]-1H-pyrazol-5-yl}-3-phenylpropanamide
IUPAC Traditional name
N-{2-[1-(cyclohex-1-ene-1-carbonyl)piperidin-4-yl]pyrazol-3-yl}-3-phenylpropanamide
Synonyms
N-{1-[1-(1-cyclohexen-1-ylcarbonyl)-4-piperidinyl]-1H-pyrazol-5-yl}-3-phenylpropanamide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 66824478 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 13.518038  H Acceptors
H Donor LogD (pH = 5.5) 3.2245293 
LogD (pH = 7.4) 3.2246048  Log P 3.224606 
Molar Refractivity 130.201 cm3 Polarizability 45.06104 Å3
Polar Surface Area 67.23 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.29  LOG S -7.36 
Polar Surface Area 67.23 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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