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1-(4-{3-[2-(3-methoxyphenyl)ethyl]piperidine-1-carbonyl}piperidin-1-yl)ethan-1-one

ChemBase ID: 370587
Molecular Formular: C22H32N2O3
Molecular Mass: 372.50108
Monoisotopic Mass: 372.24129289
SMILES and InChIs

SMILES:
N1(C(=O)C2CCN(C(=O)C)CC2)CC(CCc2cc(OC)ccc2)CCC1
Canonical SMILES:
COc1cccc(c1)CCC1CCCN(C1)C(=O)C1CCN(CC1)C(=O)C
InChI:
InChI=1S/C22H32N2O3/c1-17(25)23-13-10-20(11-14-23)22(26)24-12-4-6-19(16-24)9-8-18-5-3-7-21(15-18)27-2/h3,5,7,15,19-20H,4,6,8-14,16H2,1-2H3
InChIKey:
RWESNNLSWHGUKX-UHFFFAOYSA-N

Cite this record

CBID:370587 http://www.chembase.cn/molecule-370587.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(4-{3-[2-(3-methoxyphenyl)ethyl]piperidine-1-carbonyl}piperidin-1-yl)ethan-1-one
IUPAC Traditional name
1-(4-{3-[2-(3-methoxyphenyl)ethyl]piperidine-1-carbonyl}piperidin-1-yl)ethanone
Synonyms
1-[(1-acetyl-4-piperidinyl)carbonyl]-3-[2-(3-methoxyphenyl)ethyl]piperidine

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)
H Acceptors H Donor
LogD (pH = 5.5) 2.2111917  LogD (pH = 7.4) 2.2111928 
Log P 2.2111928  Molar Refractivity 106.6306 cm3
Polarizability 41.35191 Å3 Polar Surface Area 49.85 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.02  LOG S -2.87 
Polar Surface Area 49.85 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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