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1-[1-(cyclobutylmethyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
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ChemBase ID:
341181
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Molecular Formular:
C22H34N4O
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Molecular Mass:
370.53156
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Monoisotopic Mass:
370.27326173
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SMILES and InChIs
SMILES:
N1(CC(C(=O)NCc2cnccc2)CCC1)C1CCN(CC1)CC1CCC1
Canonical SMILES:
O=C(C1CCCN(C1)C1CCN(CC1)CC1CCC1)NCc1cccnc1
InChI:
InChI=1S/C22H34N4O/c27-22(24-15-19-6-2-10-23-14-19)20-7-3-11-26(17-20)21-8-12-25(13-9-21)16-18-4-1-5-18/h2,6,10,14,18,20-21H,1,3-5,7-9,11-13,15-17H2,(H,24,27)
InChIKey:
YCIJREJKGKECIR-UHFFFAOYSA-N
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Cite this record
CBID:341181 http://www.chembase.cn/molecule-341181.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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1-[1-(cyclobutylmethyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
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IUPAC Traditional name
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1-[1-(cyclobutylmethyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
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Synonyms
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1'-(cyclobutylmethyl)-N-(pyridin-3-ylmethyl)-1,4'-bipiperidine-3-carboxamide
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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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15.481277
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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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LogD (pH = 5.5)
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-4.293139
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LogD (pH = 7.4)
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-1.8552109
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Log P
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1.5946738
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Molar Refractivity
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109.3847 cm3
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Polarizability
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42.8143 Å3
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Polar Surface Area
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48.47 Å2
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Rotatable Bonds
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6
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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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1.95
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LOG S
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-2.27
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Polar Surface Area
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48.47 Å2
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Rotatable Bonds
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6
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent