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1-(carbamoylmethyl)-N-methyl-N-[1-(pyridin-3-yl)propyl]piperidine-4-carboxamide
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ChemBase ID:
488903
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Molecular Formular:
C17H26N4O2
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Molecular Mass:
318.41394
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Monoisotopic Mass:
318.20557609
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SMILES and InChIs
SMILES:
C(=O)(N(C(c1cnccc1)CC)C)C1CCN(CC(=O)N)CC1
Canonical SMILES:
CCC(N(C(=O)C1CCN(CC1)CC(=O)N)C)c1cccnc1
InChI:
InChI=1S/C17H26N4O2/c1-3-15(14-5-4-8-19-11-14)20(2)17(23)13-6-9-21(10-7-13)12-16(18)22/h4-5,8,11,13,15H,3,6-7,9-10,12H2,1-2H3,(H2,18,22)
InChIKey:
HWLHABCUVDINNP-UHFFFAOYSA-N
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Cite this record
CBID:488903 http://www.chembase.cn/molecule-488903.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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1-(carbamoylmethyl)-N-methyl-N-[1-(pyridin-3-yl)propyl]piperidine-4-carboxamide
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IUPAC Traditional name
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1-(carbamoylmethyl)-N-methyl-N-[1-(pyridin-3-yl)propyl]piperidine-4-carboxamide
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Synonyms
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1-(2-amino-2-oxoethyl)-N-methyl-N-[1-(3-pyridinyl)propyl]-4-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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15.950112
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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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-1.7787551
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LogD (pH = 7.4)
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-0.20454668
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Log P
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0.020628434
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Molar Refractivity
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89.2909 cm3
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Polarizability
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34.742508 Å3
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Polar Surface Area
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79.53 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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-0.3
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LOG S
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-1.28
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Polar Surface Area
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79.53 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