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3-{1-[(2-butyl-1H-imidazol-4-yl)methyl]piperidin-3-yl}-N-cyclopropylpropanamide

ChemBase ID: 322786
Molecular Formular: C19H32N4O
Molecular Mass: 332.48358
Monoisotopic Mass: 332.25761166
SMILES and InChIs

SMILES:
n1c(c[nH]c1CCCC)CN1CC(CCC(=O)NC2CC2)CCC1
Canonical SMILES:
CCCCc1[nH]cc(n1)CN1CCCC(C1)CCC(=O)NC1CC1
InChI:
InChI=1S/C19H32N4O/c1-2-3-6-18-20-12-17(21-18)14-23-11-4-5-15(13-23)7-10-19(24)22-16-8-9-16/h12,15-16H,2-11,13-14H2,1H3,(H,20,21)(H,22,24)
InChIKey:
DYSHGAJSSKLYJF-UHFFFAOYSA-N

Cite this record

CBID:322786 http://www.chembase.cn/molecule-322786.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-{1-[(2-butyl-1H-imidazol-4-yl)methyl]piperidin-3-yl}-N-cyclopropylpropanamide
IUPAC Traditional name
3-{1-[(2-butyl-1H-imidazol-4-yl)methyl]piperidin-3-yl}-N-cyclopropylpropanamide
Synonyms
3-{1-[(2-butyl-1H-imidazol-4-yl)methyl]-3-piperidinyl}-N-cyclopropylpropanamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 13.284679  H Acceptors
H Donor LogD (pH = 5.5) 0.14951922 
LogD (pH = 7.4) 1.7595632  Log P 2.2569149 
Molar Refractivity 96.714 cm3 Polarizability 37.803562 Å3
Polar Surface Area 61.02 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.96  LOG S -3.73 
Polar Surface Area 61.02 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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