N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(morpholin-4-ylmethyl)furan-3-carboxamide

C17H25N3O3 — CID 74237393

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-5-(morpholin-4-ylmethyl)furan-3-carboxamide
SMILESO=C(NC1CN2CCC1CC2)c1coc(CN2CCOCC2)c1
InChIInChI=1S/C17H25N3O3/c21-17(18-16-11-19-3-1-13(16)2-4-19)14-9-15(23-12-14)10-20-5-7-22-8-6-20/h9,12-13,16H,1-8,10-11H2,(H,18,21)
InChIKeyHXBBPSDEOZSMNX-UHFFFAOYSA-N
MW319.41 g/mol
LogP0.94
Rot. Bonds4

About N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(morpholin-4-ylmethyl)furan-3-carboxamide

N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(morpholin-4-ylmethyl)furan-3-carboxamide (PubChem CID 74237393) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(morpholin-4-ylmethyl)furan-3-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-5-(morpholin-4-ylmethyl)furan-3-carboxamide
PubChem CID74237393
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-5-(morpholin-4-ylmethyl)furan-3-carboxamide
SMILESO=C(NC1CN2CCC1CC2)c1coc(CN2CCOCC2)c1
InChIInChI=1S/C17H25N3O3/c21-17(18-16-11-19-3-1-13(16)2-4-19)14-9-15(23-12-14)10-20-5-7-22-8-6-20/h9,12-13,16H,1-8,10-11H2,(H,18,21)
InChIKeyHXBBPSDEOZSMNX-UHFFFAOYSA-N
XLogP0.94
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(morpholin-4-ylmethyl)-N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]furan-3-carboxamide
CID 91775055
N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide
CID 72870218
N-(1-benzyl-5-oxopyrrolidin-3-yl)-5-(morpholin-4-ylmethyl)furan-3-carboxamide
CID 72905508
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-benzofuran-5-(13C)carboxamide
CID 10107236
N-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide
CID 125172950
[(1S,6R)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-[5-(morpholin-4-ylmethyl)furan-3-yl]methanone
CID 133118050
N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide;hydrochloride
CID 19766290
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-(125I)iodo(125I)benzamide
CID 11325679
N-[2-(dimethylsulfamoyl)ethyl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide
CID 74245817
4-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylbenzamide
CID 16787826
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-(morpholin-4-ylmethyl)furan-3-carboxamide
CID 72837823
N-(1-azabicyclo[2.2.2]octan-3-yl)-3-bromo-4-methylbenzamide
CID 81472016

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(morpholin-4-ylmethyl)furan-3-carboxamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(morpholin-4-ylmethyl)furan-3-carboxamide (CID 74237393) is N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(morpholin-4-ylmethyl)furan-3-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(morpholin-4-ylmethyl)furan-3-carboxamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(morpholin-4-ylmethyl)furan-3-carboxamide is O=C(NC1CN2CCC1CC2)c1coc(CN2CCOCC2)c1.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(morpholin-4-ylmethyl)furan-3-carboxamide?
The InChIKey is HXBBPSDEOZSMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c21-17(18-16-11-19-3-1-13(16)2-4-19)14-9-15(23-12-14)10-20-5-7-22-8-6-20/h9,12-13,16H,1-8,10-11H2,(H,18,21).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(morpholin-4-ylmethyl)furan-3-carboxamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(morpholin-4-ylmethyl)furan-3-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(morpholin-4-ylmethyl)furan-3-carboxamide is sourced from PubChem (CID 74237393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).