2-(3-fluorophenyl)-1-[8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone

C17H23FN2O2 — CID 131641109

IUPAC2-(3-fluorophenyl)-1-[8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone
SMILESCOCCN1C2CCC1CN(C(=O)Cc1cccc(F)c1)C2
InChIInChI=1S/C17H23FN2O2/c1-22-8-7-20-15-5-6-16(20)12-19(11-15)17(21)10-13-3-2-4-14(18)9-13/h2-4,9,15-16H,5-8,10-12H2,1H3
InChIKeyLQNJWGNECWGAOC-UHFFFAOYSA-N
MW306.38 g/mol
LogP1.69
Rot. Bonds5

About 2-(3-fluorophenyl)-1-[8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone

2-(3-fluorophenyl)-1-[8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone (PubChem CID 131641109) has the molecular formula C17H23FN2O2 and a molecular weight of 306.38 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-[8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-[8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone
PubChem CID131641109
Molecular FormulaC17H23FN2O2
Molecular Weight306.38 g/mol
Exact Mass306.17
IUPAC Name2-(3-fluorophenyl)-1-[8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone
SMILESCOCCN1C2CCC1CN(C(=O)Cc1cccc(F)c1)C2
InChIInChI=1S/C17H23FN2O2/c1-22-8-7-20-15-5-6-16(20)12-19(11-15)17(21)10-13-3-2-4-14(18)9-13/h2-4,9,15-16H,5-8,10-12H2,1H3
InChIKeyLQNJWGNECWGAOC-UHFFFAOYSA-N
XLogP1.69
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(3-fluorophenyl)-1-[8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone with MolForge

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Related Compounds

2-(3-fluorophenyl)-1-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]ethanone
CID 110662498
2-(3-fluorophenyl)-1-[4-(3-methoxypropyl)-3,5-dimethylpiperazin-1-yl]ethanone
CID 110662541
1-[(3aR,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-(3-fluorophenyl)ethanone
CID 97377913
methyl 1-[2-(3-fluorophenyl)acetyl]piperidine-3-carboxylate
CID 78919144
1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 48868563
1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110817138
7-[(3-fluorophenyl)methyl]-9-(2-methoxyethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane;bis(2,2,2-trifluoroacetic acid)
CID 155824172
2-(3-fluorophenyl)-N-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]acetamide
CID 95296221
1-(4-amino-3-methylpiperidin-1-yl)-2-(3-fluorophenyl)ethanone;hydrochloride
CID 119260933
ethyl 1-[2-(3-fluorophenyl)acetyl]piperidine-4-carboxylate
CID 43404272
4-[2-(3-fluorophenyl)acetyl]-1-methylpiperazin-2-one
CID 110708115
N-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]acetamide
CID 49349287

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-[8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone?
The IUPAC name of 2-(3-fluorophenyl)-1-[8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone (CID 131641109) is 2-(3-fluorophenyl)-1-[8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone.
What is the SMILES notation for 2-(3-fluorophenyl)-1-[8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone?
The canonical SMILES for 2-(3-fluorophenyl)-1-[8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone is COCCN1C2CCC1CN(C(=O)Cc1cccc(F)c1)C2.
What is the InChIKey of 2-(3-fluorophenyl)-1-[8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone?
The InChIKey is LQNJWGNECWGAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O2/c1-22-8-7-20-15-5-6-16(20)12-19(11-15)17(21)10-13-3-2-4-14(18)9-13/h2-4,9,15-16H,5-8,10-12H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-1-[8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone?
2-(3-fluorophenyl)-1-[8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone has a molecular weight of 306.38 g/mol, XLogP of 1.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-[8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone is sourced from PubChem (CID 131641109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).