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N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide

ChemBase ID: 865475
Molecular Formular: C22H32N6O2
Molecular Mass: 412.52848
Monoisotopic Mass: 412.25867429
SMILES and InChIs

SMILES:
n1c(onc1C)CN(C(=O)C1CN(C2CCN(Cc3cnccc3)CC2)CCC1)C
Canonical SMILES:
O=C(N(Cc1onc(n1)C)C)C1CCCN(C1)C1CCN(CC1)Cc1cccnc1
InChI:
InChI=1S/C22H32N6O2/c1-17-24-21(30-25-17)16-26(2)22(29)19-6-4-10-28(15-19)20-7-11-27(12-8-20)14-18-5-3-9-23-13-18/h3,5,9,13,19-20H,4,6-8,10-12,14-16H2,1-2H3
InChIKey:
ARWHPZQYNRAWQT-UHFFFAOYSA-N

Cite this record

CBID:865475 http://www.chembase.cn/molecule-865475.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
IUPAC Traditional name
N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
Synonyms
N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1'-(pyridin-3-ylmethyl)-1,4'-bipiperidine-3-carboxamide

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) -3.8951547  LogD (pH = 7.4) -1.7801875 
Log P 0.81344205  Molar Refractivity 116.9185 cm3
Polarizability 44.48565 Å3 Polar Surface Area 78.6 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.12  LOG S -2.32 
Polar Surface Area 78.6 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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