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(S)-N-(1-(2-phenylethyl)pyrrolidin-3-yl)quinuclidine-2-carboxamide

HCID 70173580
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
O=C(NC1CCN(CCc2ccccc2)C1)[C@@H]1CC2CCN1CC2
InChIKey
LKWQFMJOLYYPBI-GGYWPGCISA-N
Molecular formula
C20H29N3O
Average molar mass
327.5 g/mol

Names & identifiers

Preferred name
(S)-N-(1-(2-phenylethyl)pyrrolidin-3-yl)quinuclidine-2-carboxamide
IUPAC
(2S)-N-[1-(2-phenylethyl)pyrrolidin-3-yl]-1-azabicyclo[2.2.2]octane-2-carboxamide

Names & synonyms

SCHEMBL7724311LKWQFMJOLYYPBI-GGYWPGCISA-N(S)-N-(1-(2-phenylethyl)pyrrolidin-3-yl)quinuclidine-2-carboxamide

Database identifiers

PubChem CID
70173580

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
35.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
24
Formal charge
0
Complexity
427

Related reactions

1 records
New reaction record
HRID 992344 reaction equation
HRID 992344As productuspto-grants-2002_10

Compound notes

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