10-[(3-fluorophenyl)methyl]-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one

C18H25FN2O3 — CID 131681265

IUPAC10-[(3-fluorophenyl)methyl]-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one
SMILESCOCCN1CC2(COCCN(Cc3cccc(F)c3)C2)CC1=O
InChIInChI=1S/C18H25FN2O3/c1-23-7-6-21-13-18(10-17(21)22)12-20(5-8-24-14-18)11-15-3-2-4-16(19)9-15/h2-4,9H,5-8,10-14H2,1H3
InChIKeyVYNSGMQLIPSEOA-UHFFFAOYSA-N
MW336.41 g/mol
LogP1.52
Rot. Bonds5

About 10-[(3-fluorophenyl)methyl]-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one

10-[(3-fluorophenyl)methyl]-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one (PubChem CID 131681265) has the molecular formula C18H25FN2O3 and a molecular weight of 336.41 g/mol. Its IUPAC name is 10-[(3-fluorophenyl)methyl]-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one.

Molecular Properties

Compound Name10-[(3-fluorophenyl)methyl]-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one
PubChem CID131681265
Molecular FormulaC18H25FN2O3
Molecular Weight336.41 g/mol
Exact Mass336.18
IUPAC Name10-[(3-fluorophenyl)methyl]-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one
SMILESCOCCN1CC2(COCCN(Cc3cccc(F)c3)C2)CC1=O
InChIInChI=1S/C18H25FN2O3/c1-23-7-6-21-13-18(10-17(21)22)12-20(5-8-24-14-18)11-15-3-2-4-16(19)9-15/h2-4,9H,5-8,10-14H2,1H3
InChIKeyVYNSGMQLIPSEOA-UHFFFAOYSA-N
XLogP1.52
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

10-[(3-fluorophenyl)methyl]-2-(2-methylpropyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one
CID 131681594
2-(2-methoxyethyl)-10-[(4-methylsulfonylphenyl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecan-3-one
CID 131679450
2-(4-fluorophenyl)-10-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one
CID 131678981
10-benzyl-2-(2-methylpropyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one
CID 131679011
1-[(3-fluorophenyl)methyl]-4-(2-methoxyethyl)piperazine
CID 121458782
2-[(3-fluorophenyl)methyl]-6-(2-methoxyethyl)-2,6-diazaspiro[4.5]decan-3-one
CID 134076632
2-(2-methylpropyl)-10-[[3-(trifluoromethyl)phenyl]methyl]-7-oxa-2,10-diazaspiro[4.6]undecan-3-one;2,2,2-trifluoroacetic acid
CID 155868091
(5S)-10-(furan-3-ylmethyl)-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97384827
2-(3-methoxypropyl)-8-[(3-methylsulfanylphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 72867341
(5S)-2-(2-methoxyethyl)-10-(2-phenylethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97472054
2-(2-methoxyethyl)-10-(thiophen-3-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 131647411
2-methyl-8-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 70755266

Frequently Asked Questions

What is the IUPAC name of 10-[(3-fluorophenyl)methyl]-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one?
The IUPAC name of 10-[(3-fluorophenyl)methyl]-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one (CID 131681265) is 10-[(3-fluorophenyl)methyl]-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one.
What is the SMILES notation for 10-[(3-fluorophenyl)methyl]-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one?
The canonical SMILES for 10-[(3-fluorophenyl)methyl]-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one is COCCN1CC2(COCCN(Cc3cccc(F)c3)C2)CC1=O.
What is the InChIKey of 10-[(3-fluorophenyl)methyl]-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one?
The InChIKey is VYNSGMQLIPSEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O3/c1-23-7-6-21-13-18(10-17(21)22)12-20(5-8-24-14-18)11-15-3-2-4-16(19)9-15/h2-4,9H,5-8,10-14H2,1H3.
What are the key properties of 10-[(3-fluorophenyl)methyl]-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one?
10-[(3-fluorophenyl)methyl]-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one has a molecular weight of 336.41 g/mol, XLogP of 1.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(3-fluorophenyl)methyl]-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one is sourced from PubChem (CID 131681265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).