2-(3-fluorophenyl)-1-[4-(hydroxymethyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone

C20H29FN2O3 — CID 91921760

IUPAC2-(3-fluorophenyl)-1-[4-(hydroxymethyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone
SMILESCOCCN1CC(CO)C2(CCN(C(=O)Cc3cccc(F)c3)CC2)C1
InChIInChI=1S/C20H29FN2O3/c1-26-10-9-22-13-17(14-24)20(15-22)5-7-23(8-6-20)19(25)12-16-3-2-4-18(21)11-16/h2-4,11,17,24H,5-10,12-15H2,1H3
InChIKeyQVIAGYHTFZCELB-UHFFFAOYSA-N
MW364.46 g/mol
LogP1.55
Rot. Bonds6

About 2-(3-fluorophenyl)-1-[4-(hydroxymethyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone

2-(3-fluorophenyl)-1-[4-(hydroxymethyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone (PubChem CID 91921760) has the molecular formula C20H29FN2O3 and a molecular weight of 364.46 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-[4-(hydroxymethyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-[4-(hydroxymethyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone
PubChem CID91921760
Molecular FormulaC20H29FN2O3
Molecular Weight364.46 g/mol
Exact Mass364.22
IUPAC Name2-(3-fluorophenyl)-1-[4-(hydroxymethyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone
SMILESCOCCN1CC(CO)C2(CCN(C(=O)Cc3cccc(F)c3)CC2)C1
InChIInChI=1S/C20H29FN2O3/c1-26-10-9-22-13-17(14-24)20(15-22)5-7-23(8-6-20)19(25)12-16-3-2-4-18(21)11-16/h2-4,11,17,24H,5-10,12-15H2,1H3
InChIKeyQVIAGYHTFZCELB-UHFFFAOYSA-N
XLogP1.55
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.46
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-[4-(hydroxymethyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone?
The IUPAC name of 2-(3-fluorophenyl)-1-[4-(hydroxymethyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone (CID 91921760) is 2-(3-fluorophenyl)-1-[4-(hydroxymethyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone.
What is the SMILES notation for 2-(3-fluorophenyl)-1-[4-(hydroxymethyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone?
The canonical SMILES for 2-(3-fluorophenyl)-1-[4-(hydroxymethyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone is COCCN1CC(CO)C2(CCN(C(=O)Cc3cccc(F)c3)CC2)C1.
What is the InChIKey of 2-(3-fluorophenyl)-1-[4-(hydroxymethyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone?
The InChIKey is QVIAGYHTFZCELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN2O3/c1-26-10-9-22-13-17(14-24)20(15-22)5-7-23(8-6-20)19(25)12-16-3-2-4-18(21)11-16/h2-4,11,17,24H,5-10,12-15H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-1-[4-(hydroxymethyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone?
2-(3-fluorophenyl)-1-[4-(hydroxymethyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone has a molecular weight of 364.46 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-[4-(hydroxymethyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone is sourced from PubChem (CID 91921760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).