1-[1-[(4-fluorophenyl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]ethanone

C17H23FN2O2 — CID 97396362

IUPAC1-[1-[(4-fluorophenyl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]ethanone
SMILESCC(=O)N1CCC2(CC1)COCCN2Cc1ccc(F)cc1
InChIInChI=1S/C17H23FN2O2/c1-14(21)19-8-6-17(7-9-19)13-22-11-10-20(17)12-15-2-4-16(18)5-3-15/h2-5H,6-13H2,1H3
InChIKeyNPYHMXIWXCBLIH-UHFFFAOYSA-N
MW306.38 g/mol
LogP2.04
Rot. Bonds2

About 1-[1-[(4-fluorophenyl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]ethanone

1-[1-[(4-fluorophenyl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]ethanone (PubChem CID 97396362) has the molecular formula C17H23FN2O2 and a molecular weight of 306.38 g/mol. Its IUPAC name is 1-[1-[(4-fluorophenyl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]ethanone.

Molecular Properties

Compound Name1-[1-[(4-fluorophenyl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]ethanone
PubChem CID97396362
Molecular FormulaC17H23FN2O2
Molecular Weight306.38 g/mol
Exact Mass306.17
IUPAC Name1-[1-[(4-fluorophenyl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]ethanone
SMILESCC(=O)N1CCC2(CC1)COCCN2Cc1ccc(F)cc1
InChIInChI=1S/C17H23FN2O2/c1-14(21)19-8-6-17(7-9-19)13-22-11-10-20(17)12-15-2-4-16(18)5-3-15/h2-5H,6-13H2,1H3
InChIKeyNPYHMXIWXCBLIH-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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Related Compounds

4-Fluorophenyl 4-morpholin-4-ylpiperidyl ketone
CID 754216
N-[(4-fluorophenyl)methyl]-2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 164851908
US10927128, Example 23
CID 135332796
US10927128, Example 16
CID 135332814
US10927128, Example 31
CID 135332880
US10927128, Example 89
CID 135374653
US10927128, Example 71
CID 135374664
US10927128, Example 68
CID 135374675
US10927128, Example 67
CID 135374726
US10927128, Example 69
CID 135374765
US10927128, Example 84
CID 135374773
US10927128, Example 85
CID 135374927

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-fluorophenyl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]ethanone?
The IUPAC name of 1-[1-[(4-fluorophenyl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]ethanone (CID 97396362) is 1-[1-[(4-fluorophenyl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]ethanone.
What is the SMILES notation for 1-[1-[(4-fluorophenyl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]ethanone?
The canonical SMILES for 1-[1-[(4-fluorophenyl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]ethanone is CC(=O)N1CCC2(CC1)COCCN2Cc1ccc(F)cc1.
What is the InChIKey of 1-[1-[(4-fluorophenyl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]ethanone?
The InChIKey is NPYHMXIWXCBLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O2/c1-14(21)19-8-6-17(7-9-19)13-22-11-10-20(17)12-15-2-4-16(18)5-3-15/h2-5H,6-13H2,1H3.
What are the key properties of 1-[1-[(4-fluorophenyl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]ethanone?
1-[1-[(4-fluorophenyl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-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-[1-[(4-fluorophenyl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]ethanone is sourced from PubChem (CID 97396362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).