2-(2,5-difluorophenyl)-N-[[8-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide

C23H27F2N3O2 — CID 45187172

IUPAC2-(2,5-difluorophenyl)-N-[[8-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
SMILESO=C(Cc1cc(F)ccc1F)NCC1CCC2(CCN(Cc3ccccn3)CC2)O1
InChIInChI=1S/C23H27F2N3O2/c24-18-4-5-21(25)17(13-18)14-22(29)27-15-20-6-7-23(30-20)8-11-28(12-9-23)16-19-3-1-2-10-26-19/h1-5,10,13,20H,6-9,11-12,14-16H2,(H,27,29)
InChIKeyGENQHMRHUAAHMP-UHFFFAOYSA-N
MW415.48 g/mol
LogP3.23
Rot. Bonds6

About 2-(2,5-difluorophenyl)-N-[[8-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide

2-(2,5-difluorophenyl)-N-[[8-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide (PubChem CID 45187172) has the molecular formula C23H27F2N3O2 and a molecular weight of 415.48 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-N-[[8-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-N-[[8-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
PubChem CID45187172
Molecular FormulaC23H27F2N3O2
Molecular Weight415.48 g/mol
Exact Mass415.21
IUPAC Name2-(2,5-difluorophenyl)-N-[[8-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
SMILESO=C(Cc1cc(F)ccc1F)NCC1CCC2(CCN(Cc3ccccn3)CC2)O1
InChIInChI=1S/C23H27F2N3O2/c24-18-4-5-21(25)17(13-18)14-22(29)27-15-20-6-7-23(30-20)8-11-28(12-9-23)16-19-3-1-2-10-26-19/h1-5,10,13,20H,6-9,11-12,14-16H2,(H,27,29)
InChIKeyGENQHMRHUAAHMP-UHFFFAOYSA-N
XLogP3.23
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.48
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-N-[[8-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide?
The IUPAC name of 2-(2,5-difluorophenyl)-N-[[8-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide (CID 45187172) is 2-(2,5-difluorophenyl)-N-[[8-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(2,5-difluorophenyl)-N-[[8-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide?
The canonical SMILES for 2-(2,5-difluorophenyl)-N-[[8-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide is O=C(Cc1cc(F)ccc1F)NCC1CCC2(CCN(Cc3ccccn3)CC2)O1.
What is the InChIKey of 2-(2,5-difluorophenyl)-N-[[8-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide?
The InChIKey is GENQHMRHUAAHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F2N3O2/c24-18-4-5-21(25)17(13-18)14-22(29)27-15-20-6-7-23(30-20)8-11-28(12-9-23)16-19-3-1-2-10-26-19/h1-5,10,13,20H,6-9,11-12,14-16H2,(H,27,29).
What are the key properties of 2-(2,5-difluorophenyl)-N-[[8-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide?
2-(2,5-difluorophenyl)-N-[[8-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide has a molecular weight of 415.48 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-N-[[8-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide is sourced from PubChem (CID 45187172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).