1-(6-azaspiro[2.5]octan-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethanone

C16H20FNO2 — CID 116573215

IUPAC1-(6-azaspiro[2.5]octan-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethanone
SMILESCOc1cccc(CC(=O)C2CC23CCNCC3)c1F
InChIInChI=1S/C16H20FNO2/c1-20-14-4-2-3-11(15(14)17)9-13(19)12-10-16(12)5-7-18-8-6-16/h2-4,12,18H,5-10H2,1H3
InChIKeyWSLJNQZXFCLCAP-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.34
Rot. Bonds4

About 1-(6-azaspiro[2.5]octan-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethanone

1-(6-azaspiro[2.5]octan-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethanone (PubChem CID 116573215) has the molecular formula C16H20FNO2 and a molecular weight of 277.34 g/mol. Its IUPAC name is 1-(6-azaspiro[2.5]octan-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(6-azaspiro[2.5]octan-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethanone
PubChem CID116573215
Molecular FormulaC16H20FNO2
Molecular Weight277.34 g/mol
Exact Mass277.15
IUPAC Name1-(6-azaspiro[2.5]octan-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethanone
SMILESCOc1cccc(CC(=O)C2CC23CCNCC3)c1F
InChIInChI=1S/C16H20FNO2/c1-20-14-4-2-3-11(15(14)17)9-13(19)12-10-16(12)5-7-18-8-6-16/h2-4,12,18H,5-10H2,1H3
InChIKeyWSLJNQZXFCLCAP-UHFFFAOYSA-N
XLogP2.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-azaspiro[2.5]octan-2-yl)-2-(2-chloro-5-fluorophenyl)ethanone
CID 102622121
[4-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]methanol
CID 104795426
1-(3-ethylpyrrolidin-3-yl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 116570400
2-(2-fluoro-3-methoxyphenyl)-1-pyrrolidin-2-ylethanone
CID 116547496
1-(6-bicyclo[3.1.0]hexanyl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 115800338
1-(6-azaspiro[2.5]octan-2-yl)-2-(4-bromo-2-fluorophenyl)ethanone
CID 116573221
2-(2-fluoro-3-methoxyphenyl)-1-(thian-2-yl)ethanone
CID 113453748
1-(2-aminocyclohexyl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 116579985
3-[(2-fluoro-3-methoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 104792796
1-(2-fluoro-3-methoxyphenyl)-3-methoxypropan-2-one
CID 104793398
3-cyclopropyl-1-(2-fluoro-3-methoxyphenyl)butan-2-one
CID 115800224
1-cyclopentyl-3-(2-fluoro-3-methoxyphenyl)propan-2-one
CID 115800128

Frequently Asked Questions

What is the IUPAC name of 1-(6-azaspiro[2.5]octan-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethanone?
The IUPAC name of 1-(6-azaspiro[2.5]octan-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethanone (CID 116573215) is 1-(6-azaspiro[2.5]octan-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(6-azaspiro[2.5]octan-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethanone?
The canonical SMILES for 1-(6-azaspiro[2.5]octan-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethanone is COc1cccc(CC(=O)C2CC23CCNCC3)c1F.
What is the InChIKey of 1-(6-azaspiro[2.5]octan-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethanone?
The InChIKey is WSLJNQZXFCLCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO2/c1-20-14-4-2-3-11(15(14)17)9-13(19)12-10-16(12)5-7-18-8-6-16/h2-4,12,18H,5-10H2,1H3.
What are the key properties of 1-(6-azaspiro[2.5]octan-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethanone?
1-(6-azaspiro[2.5]octan-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethanone has a molecular weight of 277.34 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-azaspiro[2.5]octan-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethanone is sourced from PubChem (CID 116573215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).