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N-{[2-(3-hydroxypiperidin-1-yl)pyridin-3-yl]methyl}-3-phenoxypropanamide

ChemBase ID: 420271
Molecular Formular: C20H25N3O3
Molecular Mass: 355.4308
Monoisotopic Mass: 355.18959168
SMILES and InChIs

SMILES:
N1(c2c(CNC(=O)CCOc3ccccc3)cccn2)CC(O)CCC1
Canonical SMILES:
OC1CCCN(C1)c1ncccc1CNC(=O)CCOc1ccccc1
InChI:
InChI=1S/C20H25N3O3/c24-17-7-5-12-23(15-17)20-16(6-4-11-21-20)14-22-19(25)10-13-26-18-8-2-1-3-9-18/h1-4,6,8-9,11,17,24H,5,7,10,12-15H2,(H,22,25)
InChIKey:
HEFNKNCRCKRKOD-UHFFFAOYSA-N

Cite this record

CBID:420271 http://www.chembase.cn/molecule-420271.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-{[2-(3-hydroxypiperidin-1-yl)pyridin-3-yl]methyl}-3-phenoxypropanamide
IUPAC Traditional name
N-{[2-(3-hydroxypiperidin-1-yl)pyridin-3-yl]methyl}-3-phenoxypropanamide
Synonyms
N-{[2-(3-hydroxy-1-piperidinyl)-3-pyridinyl]methyl}-3-phenoxypropanamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 14.73453  H Acceptors
H Donor LogD (pH = 5.5) 1.252231 
LogD (pH = 7.4) 1.9090469  Log P 1.9320687 
Molar Refractivity 100.7254 cm3 Polarizability 38.512688 Å3
Polar Surface Area 74.69 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.02  LOG S -3.97 
Polar Surface Area 74.69 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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