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1-cyclopropyl-N-[2-methyl-1-(piperidin-1-yl)propan-2-yl]-6-oxopiperidine-3-carboxamide

ChemBase ID: 323660
Molecular Formular: C18H31N3O2
Molecular Mass: 321.45764
Monoisotopic Mass: 321.24162725
SMILES and InChIs

SMILES:
N1(CC(C(=O)NC(CN2CCCCC2)(C)C)CCC1=O)C1CC1
Canonical SMILES:
O=C(C1CCC(=O)N(C1)C1CC1)NC(CN1CCCCC1)(C)C
InChI:
InChI=1S/C18H31N3O2/c1-18(2,13-20-10-4-3-5-11-20)19-17(23)14-6-9-16(22)21(12-14)15-7-8-15/h14-15H,3-13H2,1-2H3,(H,19,23)
InChIKey:
PHLUHOPNKKHQLN-UHFFFAOYSA-N

Cite this record

CBID:323660 http://www.chembase.cn/molecule-323660.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-cyclopropyl-N-[2-methyl-1-(piperidin-1-yl)propan-2-yl]-6-oxopiperidine-3-carboxamide
IUPAC Traditional name
1-cyclopropyl-N-[2-methyl-1-(piperidin-1-yl)propan-2-yl]-6-oxopiperidine-3-carboxamide
Synonyms
1-cyclopropyl-N-[1,1-dimethyl-2-(1-piperidinyl)ethyl]-6-oxo-3-piperidinecarboxamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 11465377 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 15.737974  H Acceptors
H Donor LogD (pH = 5.5) -2.23766 
LogD (pH = 7.4) -0.60475427  Log P 0.91574776 
Molar Refractivity 90.9897 cm3 Polarizability 35.6418 Å3
Polar Surface Area 52.65 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.83  LOG S -1.53 
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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