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1-cyclopropanecarbonyl-N-[phenyl(pyridin-4-yl)methyl]piperidine-4-carboxamide

ChemBase ID: 866235
Molecular Formular: C22H25N3O2
Molecular Mass: 363.4528
Monoisotopic Mass: 363.19467706
SMILES and InChIs

SMILES:
N(C(=O)C1CCN(C(=O)C2CC2)CC1)C(c1ccncc1)c1ccccc1
Canonical SMILES:
O=C(C1CCN(CC1)C(=O)C1CC1)NC(c1ccncc1)c1ccccc1
InChI:
InChI=1S/C22H25N3O2/c26-21(18-10-14-25(15-11-18)22(27)19-6-7-19)24-20(16-4-2-1-3-5-16)17-8-12-23-13-9-17/h1-5,8-9,12-13,18-20H,6-7,10-11,14-15H2,(H,24,26)
InChIKey:
PJQPCNQHBWVFDO-UHFFFAOYSA-N

Cite this record

CBID:866235 http://www.chembase.cn/molecule-866235.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-cyclopropanecarbonyl-N-[phenyl(pyridin-4-yl)methyl]piperidine-4-carboxamide
IUPAC Traditional name
1-cyclopropanecarbonyl-N-[phenyl(pyridin-4-yl)methyl]piperidine-4-carboxamide
Synonyms
1-(cyclopropylcarbonyl)-N-[phenyl(4-pyridinyl)methyl]-4-piperidinecarboxamide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 66820712 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 13.1479645  H Acceptors
H Donor LogD (pH = 5.5) 1.8714601 
LogD (pH = 7.4) 1.9761816  Log P 1.977745 
Molar Refractivity 103.4978 cm3 Polarizability 40.23113 Å3
Polar Surface Area 62.3 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.36  LOG S -1.71 
Polar Surface Area 62.3 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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