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3-[4-(1-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]-1-(oxan-4-yl)piperidine

ChemBase ID: 323018
Molecular Formular: C20H32N4O2
Molecular Mass: 360.49368
Monoisotopic Mass: 360.25252628
SMILES and InChIs

SMILES:
c1(n(ccn1)C)C1CCN(C(=O)C2CN(C3CCOCC3)CCC2)CC1
Canonical SMILES:
O=C(C1CCCN(C1)C1CCOCC1)N1CCC(CC1)c1nccn1C
InChI:
InChI=1S/C20H32N4O2/c1-22-12-8-21-19(22)16-4-10-23(11-5-16)20(25)17-3-2-9-24(15-17)18-6-13-26-14-7-18/h8,12,16-18H,2-7,9-11,13-15H2,1H3
InChIKey:
YIZTZUVJXKHZGR-UHFFFAOYSA-N

Cite this record

CBID:323018 http://www.chembase.cn/molecule-323018.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-[4-(1-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]-1-(oxan-4-yl)piperidine
IUPAC Traditional name
3-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]-1-(oxan-4-yl)piperidine
Synonyms
3-{[4-(1-methyl-1H-imidazol-2-yl)piperidin-1-yl]carbonyl}-1-(tetrahydro-2H-pyran-4-yl)piperidine

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)
H Acceptors H Donor
LogD (pH = 5.5) -3.6254644  LogD (pH = 7.4) -1.9625732 
Log P 0.51875615  Molar Refractivity 102.3955 cm3
Polarizability 39.61252 Å3 Polar Surface Area 50.6 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.36  LOG S -3.84 
Polar Surface Area 50.6 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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