2-(benzotriazol-1-yl)-1-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone

C16H20N4O2 — CID 122255465

IUPAC2-(benzotriazol-1-yl)-1-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
SMILESCOC1CC2CCC(C1)N2C(=O)Cn1nnc2ccccc21
InChIInChI=1S/C16H20N4O2/c1-22-13-8-11-6-7-12(9-13)20(11)16(21)10-19-15-5-3-2-4-14(15)17-18-19/h2-5,11-13H,6-10H2,1H3
InChIKeyFZIGYWLSOHYYAL-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.60
Rot. Bonds3

About 2-(benzotriazol-1-yl)-1-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone

2-(benzotriazol-1-yl)-1-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone (PubChem CID 122255465) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-1-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-1-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
PubChem CID122255465
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name2-(benzotriazol-1-yl)-1-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
SMILESCOC1CC2CCC(C1)N2C(=O)Cn1nnc2ccccc21
InChIInChI=1S/C16H20N4O2/c1-22-13-8-11-6-7-12(9-13)20(11)16(21)10-19-15-5-3-2-4-14(15)17-18-19/h2-5,11-13H,6-10H2,1H3
InChIKeyFZIGYWLSOHYYAL-UHFFFAOYSA-N
XLogP1.60
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(benzotriazol-1-yl)-1-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone with MolForge

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Related Compounds

(2S,3aR,7aS)-1-[2-(benzotriazol-1-yl)acetyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 125147819
cyclohexyl 2-(benzotriazol-1-yl)acetate
CID 102603743
2-(benzotriazol-1-yl)-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone
CID 166227750
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(benzotriazol-1-yl)ethanone
CID 154795469
2-(benzotriazol-1-yl)-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 863050
1-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-3-phenylsulfanylpropan-1-one
CID 122255246
2-(benzotriazol-1-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone
CID 46958886
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
CID 23737677
2-(benzotriazol-1-yl)-1-cyclohexylethanone
CID 115579305
1-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-2-naphthalen-1-ylethanone
CID 122255438
3-[2-(benzotriazol-1-yl)acetyl]oxypropyl 2-(benzotriazol-1-yl)acetate
CID 55567943
2-(benzotriazol-1-yl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 121141698

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-1-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone?
The IUPAC name of 2-(benzotriazol-1-yl)-1-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone (CID 122255465) is 2-(benzotriazol-1-yl)-1-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone.
What is the SMILES notation for 2-(benzotriazol-1-yl)-1-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone?
The canonical SMILES for 2-(benzotriazol-1-yl)-1-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone is COC1CC2CCC(C1)N2C(=O)Cn1nnc2ccccc21.
What is the InChIKey of 2-(benzotriazol-1-yl)-1-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone?
The InChIKey is FZIGYWLSOHYYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-22-13-8-11-6-7-12(9-13)20(11)16(21)10-19-15-5-3-2-4-14(15)17-18-19/h2-5,11-13H,6-10H2,1H3.
What are the key properties of 2-(benzotriazol-1-yl)-1-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone?
2-(benzotriazol-1-yl)-1-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone has a molecular weight of 300.36 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-1-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone is sourced from PubChem (CID 122255465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).