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1-(cyclohex-3-ene-1-carbonyl)-4-(4-cyclopentyl-1H-1,2,3-triazol-1-yl)piperidine

ChemBase ID: 340063
Molecular Formular: C19H28N4O
Molecular Mass: 328.45182
Monoisotopic Mass: 328.22631154
SMILES and InChIs

SMILES:
n1n(cc(n1)C1CCCC1)C1CCN(C(=O)C2CC=CCC2)CC1
Canonical SMILES:
O=C(N1CCC(CC1)n1nnc(c1)C1CCCC1)C1CCC=CC1
InChI:
InChI=1S/C19H28N4O/c24-19(16-8-2-1-3-9-16)22-12-10-17(11-13-22)23-14-18(20-21-23)15-6-4-5-7-15/h1-2,14-17H,3-13H2
InChIKey:
SCLPQJQGUUFHHL-UHFFFAOYSA-N

Cite this record

CBID:340063 http://www.chembase.cn/molecule-340063.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(cyclohex-3-ene-1-carbonyl)-4-(4-cyclopentyl-1H-1,2,3-triazol-1-yl)piperidine
IUPAC Traditional name
1-(cyclohex-3-ene-1-carbonyl)-4-(4-cyclopentyl-1,2,3-triazol-1-yl)piperidine
Synonyms
1-(cyclohex-3-en-1-ylcarbonyl)-4-(4-cyclopentyl-1H-1,2,3-triazol-1-yl)piperidine

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)
H Acceptors H Donor
LogD (pH = 5.5) 2.8258097  LogD (pH = 7.4) 2.8258147 
Log P 2.8258147  Molar Refractivity 106.5522 cm3
Polarizability 36.269413 Å3 Polar Surface Area 51.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.51  LOG S -2.88 
Polar Surface Area 51.02 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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