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N-cyclopropyl-1-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]piperidine-3-carboxamide

ChemBase ID: 341270
Molecular Formular: C20H29N3O2S
Molecular Mass: 375.52816
Monoisotopic Mass: 375.19804818
SMILES and InChIs

SMILES:
C(=O)(c1c(ccs1)C)N1CCC(N2CC(C(=O)NC3CC3)CCC2)CC1
Canonical SMILES:
O=C(C1CCCN(C1)C1CCN(CC1)C(=O)c1sccc1C)NC1CC1
InChI:
InChI=1S/C20H29N3O2S/c1-14-8-12-26-18(14)20(25)22-10-6-17(7-11-22)23-9-2-3-15(13-23)19(24)21-16-4-5-16/h8,12,15-17H,2-7,9-11,13H2,1H3,(H,21,24)
InChIKey:
JHCJATVBFIACDT-UHFFFAOYSA-N

Cite this record

CBID:341270 http://www.chembase.cn/molecule-341270.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-cyclopropyl-1-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
IUPAC Traditional name
N-cyclopropyl-1-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
Synonyms
N-cyclopropyl-1'-[(3-methyl-2-thienyl)carbonyl]-1,4'-bipiperidine-3-carboxamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 13995671 external link Add to cart
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 15.556562  H Acceptors
H Donor LogD (pH = 5.5) -1.5173787 
LogD (pH = 7.4) -0.14693344  Log P 1.8356632 
Molar Refractivity 104.47 cm3 Polarizability 39.934883 Å3
Polar Surface Area 52.65 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.13  LOG S -3.76 
Polar Surface Area 52.65 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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