3-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide

C15H20N2O2 — CID 52947437

IUPAC3-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide
SMILESCN1[C@@H]2CC[C@H]1CC(Oc1cccc(C(N)=O)c1)C2
InChIInChI=1S/C15H20N2O2/c1-17-11-5-6-12(17)9-14(8-11)19-13-4-2-3-10(7-13)15(16)18/h2-4,7,11-12,14H,5-6,8-9H2,1H3,(H2,16,18)/t11-,12+,14?
InChIKeyRLYMZSRJLRBKEY-ONXXMXGDSA-N
MW260.34 g/mol
LogP1.79
Rot. Bonds3

About 3-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide

3-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide (PubChem CID 52947437) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide.

Molecular Properties

Compound Name3-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide
PubChem CID52947437
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name3-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide
SMILESCN1[C@@H]2CC[C@H]1CC(Oc1cccc(C(N)=O)c1)C2
InChIInChI=1S/C15H20N2O2/c1-17-11-5-6-12(17)9-14(8-11)19-13-4-2-3-10(7-13)15(16)18/h2-4,7,11-12,14H,5-6,8-9H2,1H3,(H2,16,18)/t11-,12+,14?
InChIKeyRLYMZSRJLRBKEY-ONXXMXGDSA-N
XLogP1.79
TPSA55.56 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 ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

AZ-Mtab, >=98% (hplc)
CID 49765077
(R)-3-[Isopropyl(propyl)amino]-3,4-dihydro-2H-1-benzopyran-5-carboxamide
CID 10084845
Merresectine A
CID 11276989
3-Methoxy-N-piperidin-4-yl-benzamide
CID 1445157
3-((1-Benzylpiperidin-4-yl)oxy)benzamide
CID 52946209
(3R)-3-[cyclopentyl(propyl)amino]-3,4-dihydro-2H-chromene-5-carboxamide
CID 10709505
N-Ethyl-4-{(3-methoxy-phenyl)-[8-(3-methyl-but-2-enyl)-8-aza-bicyclo[3.2.1]oct-3-ylidene]-methyl}-benzamide
CID 44306977
3-[[(1S,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide
CID 49865733
Endo-3-(8-phenethyl-8-azabicyclo[3.2.1]octan-3-yloxy)benzamide
CID 52941462
3-[[(1R,5S)-8-[(4-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide
CID 52943162
3-[[(1R,5S)-8-(3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide
CID 52945588
3-[[(1R,5S)-8-[(3-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide
CID 52945626

Frequently Asked Questions

What is the IUPAC name of 3-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide?
The IUPAC name of 3-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide (CID 52947437) is 3-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide.
What is the SMILES notation for 3-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide?
The canonical SMILES for 3-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide is CN1[C@@H]2CC[C@H]1CC(Oc1cccc(C(N)=O)c1)C2.
What is the InChIKey of 3-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide?
The InChIKey is RLYMZSRJLRBKEY-ONXXMXGDSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-17-11-5-6-12(17)9-14(8-11)19-13-4-2-3-10(7-13)15(16)18/h2-4,7,11-12,14H,5-6,8-9H2,1H3,(H2,16,18)/t11-,12+,14?.
What are the key properties of 3-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide?
3-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide has a molecular weight of 260.34 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide is sourced from PubChem (CID 52947437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).