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

ChemBase ID: 320098
Molecular Formular: C24H32N4O
Molecular Mass: 392.53708
Monoisotopic Mass: 392.25761166
SMILES and InChIs

SMILES:
c1(n(ncc1)C1CCN(CC1)CC1CC=CCC1)NC(=O)CCc1ccccc1
Canonical SMILES:
O=C(Nc1ccnn1C1CCN(CC1)CC1CCC=CC1)CCc1ccccc1
InChI:
InChI=1S/C24H32N4O/c29-24(12-11-20-7-3-1-4-8-20)26-23-13-16-25-28(23)22-14-17-27(18-15-22)19-21-9-5-2-6-10-21/h1-5,7-8,13,16,21-22H,6,9-12,14-15,17-19H2,(H,26,29)
InChIKey:
OHOJRLXVORYGIX-UHFFFAOYSA-N

Cite this record

CBID:320098 http://www.chembase.cn/molecule-320098.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

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

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 13.518168  H Acceptors
H Donor LogD (pH = 5.5) 0.3277515 
LogD (pH = 7.4) 1.2507558  Log P 3.7861834 
Molar Refractivity 130.7133 cm3 Polarizability 45.311684 Å3
Polar Surface Area 50.16 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.83  LOG S -6.33 
Polar Surface Area 50.16 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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