1-[4-[(4-fluorophenyl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone

C17H23FN2O2 — CID 118743488

IUPAC1-[4-[(4-fluorophenyl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone
SMILESCC(=O)N1CCCC2(CN(Cc3ccc(F)cc3)CCO2)C1
InChIInChI=1S/C17H23FN2O2/c1-14(21)20-8-2-7-17(13-20)12-19(9-10-22-17)11-15-3-5-16(18)6-4-15/h3-6H,2,7-13H2,1H3
InChIKeyTXPPICLIYYPGLG-UHFFFAOYSA-N
MW306.38 g/mol
LogP2.04
Rot. Bonds2

About 1-[4-[(4-fluorophenyl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone

1-[4-[(4-fluorophenyl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone (PubChem CID 118743488) has the molecular formula C17H23FN2O2 and a molecular weight of 306.38 g/mol. Its IUPAC name is 1-[4-[(4-fluorophenyl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(4-fluorophenyl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone
PubChem CID118743488
Molecular FormulaC17H23FN2O2
Molecular Weight306.38 g/mol
Exact Mass306.17
IUPAC Name1-[4-[(4-fluorophenyl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone
SMILESCC(=O)N1CCCC2(CN(Cc3ccc(F)cc3)CCO2)C1
InChIInChI=1S/C17H23FN2O2/c1-14(21)20-8-2-7-17(13-20)12-19(9-10-22-17)11-15-3-5-16(18)6-4-15/h3-6H,2,7-13H2,1H3
InChIKeyTXPPICLIYYPGLG-UHFFFAOYSA-N
XLogP2.04
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-fluorophenyl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone?
The IUPAC name of 1-[4-[(4-fluorophenyl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone (CID 118743488) is 1-[4-[(4-fluorophenyl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone.
What is the SMILES notation for 1-[4-[(4-fluorophenyl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone?
The canonical SMILES for 1-[4-[(4-fluorophenyl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone is CC(=O)N1CCCC2(CN(Cc3ccc(F)cc3)CCO2)C1.
What is the InChIKey of 1-[4-[(4-fluorophenyl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone?
The InChIKey is TXPPICLIYYPGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O2/c1-14(21)20-8-2-7-17(13-20)12-19(9-10-22-17)11-15-3-5-16(18)6-4-15/h3-6H,2,7-13H2,1H3.
What are the key properties of 1-[4-[(4-fluorophenyl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone?
1-[4-[(4-fluorophenyl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone has a molecular weight of 306.38 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-fluorophenyl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone is sourced from PubChem (CID 118743488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).