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N-[4-(3-fluorophenyl)phenyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide
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ChemBase ID:
340244
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Molecular Formular:
C24H24FN3O
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Molecular Mass:
389.4652632
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Monoisotopic Mass:
389.19034062
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SMILES and InChIs
SMILES:
C(=O)(C1CN(Cc2cnccc2)CCC1)Nc1ccc(c2cc(F)ccc2)cc1
Canonical SMILES:
Fc1cccc(c1)c1ccc(cc1)NC(=O)C1CCCN(C1)Cc1cccnc1
InChI:
InChI=1S/C24H24FN3O/c25-22-7-1-5-20(14-22)19-8-10-23(11-9-19)27-24(29)21-6-3-13-28(17-21)16-18-4-2-12-26-15-18/h1-2,4-5,7-12,14-15,21H,3,6,13,16-17H2,(H,27,29)
InChIKey:
PNTUVUDBMZMCJM-UHFFFAOYSA-N
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Cite this record
CBID:340244 http://www.chembase.cn/molecule-340244.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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N-[4-(3-fluorophenyl)phenyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide
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IUPAC Traditional name
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N-[4-(3-fluorophenyl)phenyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide
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Synonyms
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N-(3'-fluoro-4-biphenylyl)-1-(3-pyridinylmethyl)-3-piperidinecarboxamide
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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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13.918901
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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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1.2995445
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LogD (pH = 7.4)
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3.0559392
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Log P
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4.1502175
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Molar Refractivity
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114.3016 cm3
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Polarizability
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44.51773 Å3
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Polar Surface Area
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45.23 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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3
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H Donor
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1
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Log P
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4.39
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LOG S
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-5.09
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Polar Surface Area
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45.23 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