N-(1-azabicyclo[3.2.1]octan-3-yl)-1-benzofuran-6-carboxamide

C16H18N2O2 — CID 22481709

IUPACN-(1-azabicyclo[3.2.1]octan-3-yl)-1-benzofuran-6-carboxamide
SMILESO=C(NC1CC2CCN(C2)C1)c1ccc2ccoc2c1
InChIInChI=1S/C16H18N2O2/c19-16(13-2-1-12-4-6-20-15(12)8-13)17-14-7-11-3-5-18(9-11)10-14/h1-2,4,6,8,11,14H,3,5,7,9-10H2,(H,17,19)
InChIKeyHCPPCTDXVRHRPV-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.26
Rot. Bonds2

About N-(1-azabicyclo[3.2.1]octan-3-yl)-1-benzofuran-6-carboxamide

N-(1-azabicyclo[3.2.1]octan-3-yl)-1-benzofuran-6-carboxamide (PubChem CID 22481709) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-(1-azabicyclo[3.2.1]octan-3-yl)-1-benzofuran-6-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[3.2.1]octan-3-yl)-1-benzofuran-6-carboxamide
PubChem CID22481709
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN-(1-azabicyclo[3.2.1]octan-3-yl)-1-benzofuran-6-carboxamide
SMILESO=C(NC1CC2CCN(C2)C1)c1ccc2ccoc2c1
InChIInChI=1S/C16H18N2O2/c19-16(13-2-1-12-4-6-20-15(12)8-13)17-14-7-11-3-5-18(9-11)10-14/h1-2,4,6,8,11,14H,3,5,7,9-10H2,(H,17,19)
InChIKeyHCPPCTDXVRHRPV-UHFFFAOYSA-N
XLogP2.26
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-1-benzofuran-6-carboxamide;(E)-but-2-enedioic acid
CID 20782085
N-(1-azabicyclo[3.2.1]octan-3-yl)-3-chloro-1-benzofuran-5-carboxamide
CID 22481716
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]furo[2,3-c]pyridine-5-carboxamide;hydrochloride
CID 25014728
N-(1-azabicyclo[3.2.1]octan-3-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide;hydrochloride
CID 22313423
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-7-chlorofuro[2,3-c]pyridine-5-carboxamide
CID 87166112
N-(1-azabicyclo[3.2.1]octan-3-yl)-7-methylfuro[2,3-c]pyridine-5-carboxamide
CID 22389458
N-(1-azabicyclo[3.2.2]nonan-3-yl)-1-benzothiophene-6-carboxamide
CID 22481751
N-(1-azabicyclo[3.2.1]octan-3-yl)-3H-benzimidazole-5-carboxamide
CID 10308194
N-(1-azabicyclo[3.2.1]octan-3-yl)-4-phenylsulfanylbenzamide
CID 22573759
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-benzofuran-5-(13C)carboxamide
CID 10107236
N-(1-azabicyclo[3.2.2]nonan-3-yl)-1-benzothiophene-5-carboxamide
CID 22481698
N-(1-azabicyclo[3.2.2]nonan-3-yl)-7-methoxynaphthalene-2-carboxamide
CID 22243566

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[3.2.1]octan-3-yl)-1-benzofuran-6-carboxamide?
The IUPAC name of N-(1-azabicyclo[3.2.1]octan-3-yl)-1-benzofuran-6-carboxamide (CID 22481709) is N-(1-azabicyclo[3.2.1]octan-3-yl)-1-benzofuran-6-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[3.2.1]octan-3-yl)-1-benzofuran-6-carboxamide?
The canonical SMILES for N-(1-azabicyclo[3.2.1]octan-3-yl)-1-benzofuran-6-carboxamide is O=C(NC1CC2CCN(C2)C1)c1ccc2ccoc2c1.
What is the InChIKey of N-(1-azabicyclo[3.2.1]octan-3-yl)-1-benzofuran-6-carboxamide?
The InChIKey is HCPPCTDXVRHRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c19-16(13-2-1-12-4-6-20-15(12)8-13)17-14-7-11-3-5-18(9-11)10-14/h1-2,4,6,8,11,14H,3,5,7,9-10H2,(H,17,19).
What are the key properties of N-(1-azabicyclo[3.2.1]octan-3-yl)-1-benzofuran-6-carboxamide?
N-(1-azabicyclo[3.2.1]octan-3-yl)-1-benzofuran-6-carboxamide has a molecular weight of 270.33 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[3.2.1]octan-3-yl)-1-benzofuran-6-carboxamide is sourced from PubChem (CID 22481709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).