N-(8-azabicyclo[3.2.1]octan-3-yl)-1,3-benzodioxole-5-carboxamide

C15H18N2O3 — CID 61238980

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-1,3-benzodioxole-5-carboxamide
SMILESO=C(NC1CC2CCC(C1)N2)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H18N2O3/c18-15(9-1-4-13-14(5-9)20-8-19-13)17-12-6-10-2-3-11(7-12)16-10/h1,4-5,10-12,16H,2-3,6-8H2,(H,17,18)
InChIKeyXNDPJIQOTDMLPA-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.43
Rot. Bonds2

About N-(8-azabicyclo[3.2.1]octan-3-yl)-1,3-benzodioxole-5-carboxamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-1,3-benzodioxole-5-carboxamide (PubChem CID 61238980) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-1,3-benzodioxole-5-carboxamide
PubChem CID61238980
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-1,3-benzodioxole-5-carboxamide
SMILESO=C(NC1CC2CCC(C1)N2)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H18N2O3/c18-15(9-1-4-13-14(5-9)20-8-19-13)17-12-6-10-2-3-11(7-12)16-10/h1,4-5,10-12,16H,2-3,6-8H2,(H,17,18)
InChIKeyXNDPJIQOTDMLPA-UHFFFAOYSA-N
XLogP1.43
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-1,3-benzodioxole-5-carboxamide
CID 45087059
N-(8-azabicyclo[3.2.1]octan-3-yl)-2,2-difluoro-1,3-benzodioxole-5-carboxamide
CID 140823182
N-[(3R)-pyrrolidin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 71645351
N-(8-azabicyclo[3.2.1]octan-3-yl)-7-chloro-1,3-benzodioxole-5-carboxamide;hydrochloride
CID 119459246
N-(4-aminocyclohexyl)-1,3-benzodioxole-5-carboxamide;hydrochloride
CID 71643856
N-[(1S,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1,3-benzodioxole-5-carboxamide
CID 97039811
N-(8-azabicyclo[3.2.1]octan-3-yl)-3,4-dichlorobenzamide
CID 61238974
N-(5-oxopyrrolidin-3-yl)-1,3-benzodioxole-5-carboxamide
CID 56765647
N-(1-propan-2-ylpiperidin-4-yl)-1,3-benzodioxole-5-carboxamide
CID 51194544
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-fluorobenzamide
CID 61238981
N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)-1,3-benzodioxole-5-carboxamide
CID 4093721
N-[2-(cyclopropylcarbamoyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 26905962

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-1,3-benzodioxole-5-carboxamide (CID 61238980) is N-(8-azabicyclo[3.2.1]octan-3-yl)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-1,3-benzodioxole-5-carboxamide is O=C(NC1CC2CCC(C1)N2)c1ccc2c(c1)OCO2.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-1,3-benzodioxole-5-carboxamide?
The InChIKey is XNDPJIQOTDMLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c18-15(9-1-4-13-14(5-9)20-8-19-13)17-12-6-10-2-3-11(7-12)16-10/h1,4-5,10-12,16H,2-3,6-8H2,(H,17,18).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-1,3-benzodioxole-5-carboxamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-1,3-benzodioxole-5-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 61238980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).