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N-cyclopropyl-1-{1-[(5-ethylfuran-2-yl)methyl]piperidin-4-yl}piperidine-3-carboxamide

ChemBase ID: 460169
Molecular Formular: C21H33N3O2
Molecular Mass: 359.50562
Monoisotopic Mass: 359.25727731
SMILES and InChIs

SMILES:
C(=O)(C1CN(C2CCN(Cc3oc(cc3)CC)CC2)CCC1)NC1CC1
Canonical SMILES:
CCc1ccc(o1)CN1CCC(CC1)N1CCCC(C1)C(=O)NC1CC1
InChI:
InChI=1S/C21H33N3O2/c1-2-19-7-8-20(26-19)15-23-12-9-18(10-13-23)24-11-3-4-16(14-24)21(25)22-17-5-6-17/h7-8,16-18H,2-6,9-15H2,1H3,(H,22,25)
InChIKey:
XNMZWATUBDVBFE-UHFFFAOYSA-N

Cite this record

CBID:460169 http://www.chembase.cn/molecule-460169.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-cyclopropyl-1-{1-[(5-ethylfuran-2-yl)methyl]piperidin-4-yl}piperidine-3-carboxamide
IUPAC Traditional name
N-cyclopropyl-1-{1-[(5-ethylfuran-2-yl)methyl]piperidin-4-yl}piperidine-3-carboxamide
Synonyms
N-cyclopropyl-1'-[(5-ethyl-2-furyl)methyl]-1,4'-bipiperidine-3-carboxamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 32294346 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 15.7900305  H Acceptors
H Donor LogD (pH = 5.5) -2.8166232 
LogD (pH = 7.4) -0.7842361  Log P 1.8350952 
Molar Refractivity 104.2744 cm3 Polarizability 40.49395 Å3
Polar Surface Area 48.72 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.42  LOG S -2.91 
Polar Surface Area 48.72 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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