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N-(1-cycloheptylpiperidin-3-yl)-3-(1H-pyrazol-1-yl)propanamide
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ChemBase ID:
410363
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Molecular Formular:
C18H30N4O
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Molecular Mass:
318.457
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Monoisotopic Mass:
318.2419616
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SMILES and InChIs
SMILES:
N1(CC(NC(=O)CCn2nccc2)CCC1)C1CCCCCC1
Canonical SMILES:
O=C(NC1CCCN(C1)C1CCCCCC1)CCn1cccn1
InChI:
InChI=1S/C18H30N4O/c23-18(10-14-22-13-6-11-19-22)20-16-7-5-12-21(15-16)17-8-3-1-2-4-9-17/h6,11,13,16-17H,1-5,7-10,12,14-15H2,(H,20,23)
InChIKey:
KQNAMVWUKANJCD-UHFFFAOYSA-N
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Cite this record
CBID:410363 http://www.chembase.cn/molecule-410363.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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N-(1-cycloheptylpiperidin-3-yl)-3-(1H-pyrazol-1-yl)propanamide
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IUPAC Traditional name
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N-(1-cycloheptylpiperidin-3-yl)-3-(pyrazol-1-yl)propanamide
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Synonyms
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N-(1-cycloheptyl-3-piperidinyl)-3-(1H-pyrazol-1-yl)propanamide
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
供应商提供(Chembridge)
Acid pKa
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15.750779
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H Acceptors
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3
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H Donor
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1
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LogD (pH = 5.5)
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-1.1343936
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LogD (pH = 7.4)
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0.11869832
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Log P
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2.2608836
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Molar Refractivity
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103.3098 cm3
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Polarizability
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36.035934 Å3
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Polar Surface Area
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50.16 Å2
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Rotatable Bonds
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5
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Lipinski's Rule of Five
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true
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H Acceptors
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4
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H Donor
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1
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Log P
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3.05
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LOG S
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-3.27
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Polar Surface Area
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50.16 Å2
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Rotatable Bonds
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5
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent