N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-methoxybenzamide

C15H20N2O2 — CID 11425459

IUPACN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)N[C@H]1CN2CCC1CC2
InChIInChI=1S/C15H20N2O2/c1-19-14-5-3-2-4-12(14)15(18)16-13-10-17-8-6-11(13)7-9-17/h2-5,11,13H,6-10H2,1H3,(H,16,18)/t13-/m0/s1
InChIKeyRJKGVLCGKNHLDY-ZDUSSCGKSA-N
MW260.34 g/mol
LogP1.52
Rot. Bonds3

About N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-methoxybenzamide

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-methoxybenzamide (PubChem CID 11425459) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-methoxybenzamide
PubChem CID11425459
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)N[C@H]1CN2CCC1CC2
InChIInChI=1S/C15H20N2O2/c1-19-14-5-3-2-4-12(14)15(18)16-13-10-17-8-6-11(13)7-9-17/h2-5,11,13H,6-10H2,1H3,(H,16,18)/t13-/m0/s1
InChIKeyRJKGVLCGKNHLDY-ZDUSSCGKSA-N
XLogP1.52
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-methoxybenzamide?
The IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-methoxybenzamide (CID 11425459) is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-methoxybenzamide?
The canonical SMILES for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-methoxybenzamide is COc1ccccc1C(=O)N[C@H]1CN2CCC1CC2.
What is the InChIKey of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-methoxybenzamide?
The InChIKey is RJKGVLCGKNHLDY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-19-14-5-3-2-4-12(14)15(18)16-13-10-17-8-6-11(13)7-9-17/h2-5,11,13H,6-10H2,1H3,(H,16,18)/t13-/m0/s1.
What are the key properties of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-methoxybenzamide?
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-methoxybenzamide has a molecular weight of 260.34 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-methoxybenzamide is sourced from PubChem (CID 11425459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).