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

ChemBase ID: 321954
Molecular Formular: C16H27N3O3
Molecular Mass: 309.40388
Monoisotopic Mass: 309.20524174
SMILES and InChIs

SMILES:
C(=O)(C1CN(C2CCN(C(=O)CO)CC2)CCC1)NC1CC1
Canonical SMILES:
OCC(=O)N1CCC(CC1)N1CCCC(C1)C(=O)NC1CC1
InChI:
InChI=1S/C16H27N3O3/c20-11-15(21)18-8-5-14(6-9-18)19-7-1-2-12(10-19)16(22)17-13-3-4-13/h12-14,20H,1-11H2,(H,17,22)
InChIKey:
ITJLLTQGGLEWOA-UHFFFAOYSA-N

Cite this record

CBID:321954 http://www.chembase.cn/molecule-321954.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

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

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 11220810 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 13.628563  H Acceptors
H Donor LogD (pH = 5.5) -4.632988 
LogD (pH = 7.4) -3.3071592  Log P -1.2620621 
Molar Refractivity 83.5706 cm3 Polarizability 32.607574 Å3
Polar Surface Area 72.88 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P -0.84  LOG S -2.05 
Polar Surface Area 72.88 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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