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N-cyclopropyl-1-[1-(2-methyl-1,3-benzothiazole-5-carbonyl)piperidin-4-yl]piperidine-4-carboxamide

ChemBase ID: 341335
Molecular Formular: C23H30N4O2S
Molecular Mass: 426.5749
Monoisotopic Mass: 426.20894722
SMILES and InChIs

SMILES:
n1c(sc2c1cc(C(=O)N1CCC(N3CCC(C(=O)NC4CC4)CC3)CC1)cc2)C
Canonical SMILES:
O=C(C1CCN(CC1)C1CCN(CC1)C(=O)c1ccc2c(c1)nc(s2)C)NC1CC1
InChI:
InChI=1S/C23H30N4O2S/c1-15-24-20-14-17(2-5-21(20)30-15)23(29)27-12-8-19(9-13-27)26-10-6-16(7-11-26)22(28)25-18-3-4-18/h2,5,14,16,18-19H,3-4,6-13H2,1H3,(H,25,28)
InChIKey:
VAXMNWDVARKYGK-UHFFFAOYSA-N

Cite this record

CBID:341335 http://www.chembase.cn/molecule-341335.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-cyclopropyl-1-[1-(2-methyl-1,3-benzothiazole-5-carbonyl)piperidin-4-yl]piperidine-4-carboxamide
IUPAC Traditional name
N-cyclopropyl-1-[1-(2-methyl-1,3-benzothiazole-5-carbonyl)piperidin-4-yl]piperidine-4-carboxamide
Synonyms
N-cyclopropyl-1'-[(2-methyl-1,3-benzothiazol-5-yl)carbonyl]-1,4'-bipiperidine-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 15.890258  H Acceptors
H Donor LogD (pH = 5.5) -1.7801553 
LogD (pH = 7.4) -0.30235466  Log P 1.5167437 
Molar Refractivity 118.2043 cm3 Polarizability 46.5459 Å3
Polar Surface Area 65.54 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.44  LOG S -4.63 
Polar Surface Area 65.54 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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