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N-[2-hydroxy-2-(prop-2-en-1-yl)pent-4-en-1-yl]-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide

ChemBase ID: 320494
Molecular Formular: C22H30N2O4
Molecular Mass: 386.4846
Monoisotopic Mass: 386.22055745
SMILES and InChIs

SMILES:
N1(C(=O)CCC(C(=O)NCC(O)(CC=C)CC=C)C1)Cc1c(OC)cccc1
Canonical SMILES:
C=CCC(CNC(=O)C1CCC(=O)N(C1)Cc1ccccc1OC)(CC=C)O
InChI:
InChI=1S/C22H30N2O4/c1-4-12-22(27,13-5-2)16-23-21(26)18-10-11-20(25)24(15-18)14-17-8-6-7-9-19(17)28-3/h4-9,18,27H,1-2,10-16H2,3H3,(H,23,26)
InChIKey:
FSZCEPCABUDGHP-UHFFFAOYSA-N

Cite this record

CBID:320494 http://www.chembase.cn/molecule-320494.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[2-hydroxy-2-(prop-2-en-1-yl)pent-4-en-1-yl]-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
IUPAC Traditional name
N-[2-hydroxy-2-(prop-2-en-1-yl)pent-4-en-1-yl]-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
Synonyms
N-(2-allyl-2-hydroxy-4-penten-1-yl)-1-(2-methoxybenzyl)-6-oxo-3-piperidinecarboxamide

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 14.250823  H Acceptors
H Donor LogD (pH = 5.5) 1.7840784 
LogD (pH = 7.4) 1.7840785  Log P 1.7840785 
Molar Refractivity 109.3237 cm3 Polarizability 42.293007 Å3
Polar Surface Area 78.87 Å2 Rotatable Bonds 10 
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.96  LOG S -3.24 
Polar Surface Area 78.87 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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