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4-[(1-acetylpiperidin-4-yl)oxy]-3-methoxy-N-[3-(propan-2-yloxy)propyl]benzamide

ChemBase ID: 323336
Molecular Formular: C21H32N2O5
Molecular Mass: 392.48918
Monoisotopic Mass: 392.23112213
SMILES and InChIs

SMILES:
N1(C(=O)C)CCC(Oc2c(cc(C(=O)NCCCOC(C)C)cc2)OC)CC1
Canonical SMILES:
COc1cc(ccc1OC1CCN(CC1)C(=O)C)C(=O)NCCCOC(C)C
InChI:
InChI=1S/C21H32N2O5/c1-15(2)27-13-5-10-22-21(25)17-6-7-19(20(14-17)26-4)28-18-8-11-23(12-9-18)16(3)24/h6-7,14-15,18H,5,8-13H2,1-4H3,(H,22,25)
InChIKey:
KCMJTVPYPHBVOT-UHFFFAOYSA-N

Cite this record

CBID:323336 http://www.chembase.cn/molecule-323336.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-[(1-acetylpiperidin-4-yl)oxy]-3-methoxy-N-[3-(propan-2-yloxy)propyl]benzamide
IUPAC Traditional name
4-[(1-acetylpiperidin-4-yl)oxy]-N-(3-isopropoxypropyl)-3-methoxybenzamide
Synonyms
4-[(1-acetyl-4-piperidinyl)oxy]-N-(3-isopropoxypropyl)-3-methoxybenzamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 14.703914  H Acceptors
H Donor LogD (pH = 5.5) 0.772287 
LogD (pH = 7.4) 0.7722873  Log P 0.7722873 
Molar Refractivity 107.7581 cm3 Polarizability 41.49687 Å3
Polar Surface Area 77.1 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.61  LOG S -4.09 
Polar Surface Area 77.1 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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