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1-[1-(furan-2-ylmethyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide

ChemBase ID: 510197
Molecular Formular: C22H30N4O2
Molecular Mass: 382.4992
Monoisotopic Mass: 382.23687622
SMILES and InChIs

SMILES:
N1(CC(C(=O)NCc2ncccc2)CCC1)C1CCN(Cc2occc2)CC1
Canonical SMILES:
O=C(C1CCCN(C1)C1CCN(CC1)Cc1ccco1)NCc1ccccn1
InChI:
InChI=1S/C22H30N4O2/c27-22(24-15-19-6-1-2-10-23-19)18-5-3-11-26(16-18)20-8-12-25(13-9-20)17-21-7-4-14-28-21/h1-2,4,6-7,10,14,18,20H,3,5,8-9,11-13,15-17H2,(H,24,27)
InChIKey:
UAMKDVQJDVRKDC-UHFFFAOYSA-N

Cite this record

CBID:510197 http://www.chembase.cn/molecule-510197.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-[1-(furan-2-ylmethyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
IUPAC Traditional name
1-[1-(furan-2-ylmethyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
Synonyms
1'-(2-furylmethyl)-N-(2-pyridinylmethyl)-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)
Acid pKa 14.283022  H Acceptors
H Donor LogD (pH = 5.5) -3.3762946 
LogD (pH = 7.4) -1.3984196  Log P 1.2357194 
Molar Refractivity 109.323 cm3 Polarizability 42.626587 Å3
Polar Surface Area 61.61 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.34  LOG S -2.44 
Polar Surface Area 61.61 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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