3-[[(1S,5R)-8-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide

C22H27N3O2 — CID 52944974

IUPAC3-[[(1S,5R)-8-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide
SMILESCc1ccc([C@@H](C)N2[C@@H]3CC[C@H]2CC(Oc2cccc(C(N)=O)c2)C3)cn1
InChIInChI=1S/C22H27N3O2/c1-14-6-7-17(13-24-14)15(2)25-18-8-9-19(25)12-21(11-18)27-20-5-3-4-16(10-20)22(23)26/h3-7,10,13,15,18-19,21H,8-9,11-12H2,1-2H3,(H2,23,26)/t15-,18-,19+,21?/m1/s1
InChIKeyFFCXAJUMJUOFPK-MYRDTQIVSA-N
MW365.48 g/mol
LogP3.62
Rot. Bonds5

About 3-[[(1S,5R)-8-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide

3-[[(1S,5R)-8-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide (PubChem CID 52944974) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 3-[[(1S,5R)-8-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide.

Molecular Properties

Compound Name3-[[(1S,5R)-8-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide
PubChem CID52944974
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name3-[[(1S,5R)-8-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide
SMILESCc1ccc([C@@H](C)N2[C@@H]3CC[C@H]2CC(Oc2cccc(C(N)=O)c2)C3)cn1
InChIInChI=1S/C22H27N3O2/c1-14-6-7-17(13-24-14)15(2)25-18-8-9-19(25)12-21(11-18)27-20-5-3-4-16(10-20)22(23)26/h3-7,10,13,15,18-19,21H,8-9,11-12H2,1-2H3,(H2,23,26)/t15-,18-,19+,21?/m1/s1
InChIKeyFFCXAJUMJUOFPK-MYRDTQIVSA-N
XLogP3.62
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[[(1S,5R)-8-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide with MolForge

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Related Compounds

(3-cyclopropyloxyphenyl)-(6-methyl-3-pyridinyl)methanone
CID 105134421
3-cyclopentyloxybenzamide
CID 71932153
(5-methylpyrazin-2-yl)-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 119103729
(3-cyclopropyloxyphenyl)-(4-propan-2-ylphenyl)methanone
CID 114521063
3-(1,1,1-trifluoropropan-2-yloxy)benzamide
CID 56986321
tert-butyl (1S,5R)-3-[3-(methoxycarbamoyl)phenoxy]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 88908984
2-(3-methylphenyl)-1-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 121185876
3-[[(1S,5R)-3-bicyclo[3.2.1]octanyl]oxy]-N,N-dimethylbenzamide
CID 70660969
(3-cyclopropyloxyphenyl)-(2,6-dimethyl-3-pyridinyl)methanone
CID 105134467
(2S)-2-amino-3-methyl-1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]butan-1-one;dihydrochloride
CID 67529006
3-methoxy-N-[2-[4-(6-methyl-3-pyridinyl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 136522528
3-(4-methylphenyl)-N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-5-(oxolan-3-yloxy)benzamide
CID 58188210

Frequently Asked Questions

What is the IUPAC name of 3-[[(1S,5R)-8-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide?
The IUPAC name of 3-[[(1S,5R)-8-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide (CID 52944974) is 3-[[(1S,5R)-8-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide.
What is the SMILES notation for 3-[[(1S,5R)-8-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide?
The canonical SMILES for 3-[[(1S,5R)-8-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide is Cc1ccc([C@@H](C)N2[C@@H]3CC[C@H]2CC(Oc2cccc(C(N)=O)c2)C3)cn1.
What is the InChIKey of 3-[[(1S,5R)-8-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide?
The InChIKey is FFCXAJUMJUOFPK-MYRDTQIVSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-14-6-7-17(13-24-14)15(2)25-18-8-9-19(25)12-21(11-18)27-20-5-3-4-16(10-20)22(23)26/h3-7,10,13,15,18-19,21H,8-9,11-12H2,1-2H3,(H2,23,26)/t15-,18-,19+,21?/m1/s1.
What are the key properties of 3-[[(1S,5R)-8-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide?
3-[[(1S,5R)-8-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide has a molecular weight of 365.48 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1S,5R)-8-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide is sourced from PubChem (CID 52944974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).