1-[(3S)-3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-fluorophenoxy)ethanone

C19H26FNO4 — CID 97418153

IUPAC1-[(3S)-3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-fluorophenoxy)ethanone
SMILESCCOC[C@@H]1CC2(CCN(C(=O)COc3ccc(F)cc3)CC2)CO1
InChIInChI=1S/C19H26FNO4/c1-2-23-12-17-11-19(14-25-17)7-9-21(10-8-19)18(22)13-24-16-5-3-15(20)4-6-16/h3-6,17H,2,7-14H2,1H3/t17-/m0/s1
InChIKeyDUTNZYVXQOEASN-KRWDZBQOSA-N
MW351.42 g/mol
LogP2.64
Rot. Bonds6

About 1-[(3S)-3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-fluorophenoxy)ethanone

1-[(3S)-3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-fluorophenoxy)ethanone (PubChem CID 97418153) has the molecular formula C19H26FNO4 and a molecular weight of 351.42 g/mol. Its IUPAC name is 1-[(3S)-3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-fluorophenoxy)ethanone.

Molecular Properties

Compound Name1-[(3S)-3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-fluorophenoxy)ethanone
PubChem CID97418153
Molecular FormulaC19H26FNO4
Molecular Weight351.42 g/mol
Exact Mass351.18
IUPAC Name1-[(3S)-3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-fluorophenoxy)ethanone
SMILESCCOC[C@@H]1CC2(CCN(C(=O)COc3ccc(F)cc3)CC2)CO1
InChIInChI=1S/C19H26FNO4/c1-2-23-12-17-11-19(14-25-17)7-9-21(10-8-19)18(22)13-24-16-5-3-15(20)4-6-16/h3-6,17H,2,7-14H2,1H3/t17-/m0/s1
InChIKeyDUTNZYVXQOEASN-KRWDZBQOSA-N
XLogP2.64
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.42
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(3S)-3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-fluorophenoxy)ethanone with MolForge

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Related Compounds

2-(4-fluorophenoxy)-1-[3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 131651656
1-[(3R)-3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-methoxyphenyl)ethanone
CID 97418104
1-[(3S)-3-(cyclopropylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-phenoxyethanone
CID 97418240
1-[3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-phenylpropan-1-one
CID 131656240
1-[(3R)-3-(cyclopropylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-ethoxyethanone
CID 97418251
[3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(3-methylfuran-2-yl)methanone
CID 131647307
2-ethoxy-1-[4-[2-(4-fluorophenoxy)acetyl]-1,4-diazepan-1-yl]ethanone
CID 135093803
1-[3-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-methylphenoxy)ethanone
CID 131678605
2-methoxy-1-[(3S)-3-(pyridin-2-ylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 97418410
1-[3-[[(3S,4R)-3-hydroxy-4-methylpiperidin-1-yl]methyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-methylphenoxy)ethanone
CID 131678801
1-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 119727742
1-(azetidin-1-yl)-2-(4-fluorophenoxy)ethanone
CID 154828949

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-fluorophenoxy)ethanone?
The IUPAC name of 1-[(3S)-3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-fluorophenoxy)ethanone (CID 97418153) is 1-[(3S)-3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-fluorophenoxy)ethanone.
What is the SMILES notation for 1-[(3S)-3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-fluorophenoxy)ethanone?
The canonical SMILES for 1-[(3S)-3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-fluorophenoxy)ethanone is CCOC[C@@H]1CC2(CCN(C(=O)COc3ccc(F)cc3)CC2)CO1.
What is the InChIKey of 1-[(3S)-3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-fluorophenoxy)ethanone?
The InChIKey is DUTNZYVXQOEASN-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H26FNO4/c1-2-23-12-17-11-19(14-25-17)7-9-21(10-8-19)18(22)13-24-16-5-3-15(20)4-6-16/h3-6,17H,2,7-14H2,1H3/t17-/m0/s1.
What are the key properties of 1-[(3S)-3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-fluorophenoxy)ethanone?
1-[(3S)-3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-fluorophenoxy)ethanone has a molecular weight of 351.42 g/mol, XLogP of 2.64, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-fluorophenoxy)ethanone is sourced from PubChem (CID 97418153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).