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4-methyl-N-{1-[(3-methylphenyl)methyl]cyclopropyl}piperidine-4-carboxamide

ChemBase ID: 510097
Molecular Formular: C18H26N2O
Molecular Mass: 286.41184
Monoisotopic Mass: 286.20451346
SMILES and InChIs

SMILES:
C1(NC(=O)C2(CCNCC2)C)(CC1)Cc1cc(ccc1)C
Canonical SMILES:
Cc1cccc(c1)CC1(CC1)NC(=O)C1(C)CCNCC1
InChI:
InChI=1S/C18H26N2O/c1-14-4-3-5-15(12-14)13-18(6-7-18)20-16(21)17(2)8-10-19-11-9-17/h3-5,12,19H,6-11,13H2,1-2H3,(H,20,21)
InChIKey:
ZZDBUOQRGDNOMA-UHFFFAOYSA-N

Cite this record

CBID:510097 http://www.chembase.cn/molecule-510097.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-methyl-N-{1-[(3-methylphenyl)methyl]cyclopropyl}piperidine-4-carboxamide
IUPAC Traditional name
4-methyl-N-{1-[(3-methylphenyl)methyl]cyclopropyl}piperidine-4-carboxamide
Synonyms
4-methyl-N-[1-(3-methylbenzyl)cyclopropyl]piperidine-4-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 15.858206  H Acceptors
H Donor LogD (pH = 5.5) -0.45604917 
LogD (pH = 7.4) 0.14854316  Log P 2.768869 
Molar Refractivity 85.8048 cm3 Polarizability 33.639606 Å3
Polar Surface Area 41.13 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.6  LOG S -3.51 
Polar Surface Area 41.13 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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