3-[(3-fluorophenyl)methyl]-2-methyl-8-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-1-one

C29H32FN3O2 — CID 110150486

IUPAC3-[(3-fluorophenyl)methyl]-2-methyl-8-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCN1C(=O)C2(CCN(Cc3ccccc3OCc3ccccn3)CC2)CC1Cc1cccc(F)c1
InChIInChI=1S/C29H32FN3O2/c1-32-26(18-22-7-6-9-24(30)17-22)19-29(28(32)34)12-15-33(16-13-29)20-23-8-2-3-11-27(23)35-21-25-10-4-5-14-31-25/h2-11,14,17,26H,12-13,15-16,18-21H2,1H3
InChIKeyXVIUTGHYEYUPIZ-UHFFFAOYSA-N
MW473.59 g/mol
LogP4.86
Rot. Bonds7

About 3-[(3-fluorophenyl)methyl]-2-methyl-8-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-1-one

3-[(3-fluorophenyl)methyl]-2-methyl-8-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 110150486) has the molecular formula C29H32FN3O2 and a molecular weight of 473.59 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methyl]-2-methyl-8-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methyl]-2-methyl-8-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID110150486
Molecular FormulaC29H32FN3O2
Molecular Weight473.59 g/mol
Exact Mass473.25
IUPAC Name3-[(3-fluorophenyl)methyl]-2-methyl-8-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCN1C(=O)C2(CCN(Cc3ccccc3OCc3ccccn3)CC2)CC1Cc1cccc(F)c1
InChIInChI=1S/C29H32FN3O2/c1-32-26(18-22-7-6-9-24(30)17-22)19-29(28(32)34)12-15-33(16-13-29)20-23-8-2-3-11-27(23)35-21-25-10-4-5-14-31-25/h2-11,14,17,26H,12-13,15-16,18-21H2,1H3
InChIKeyXVIUTGHYEYUPIZ-UHFFFAOYSA-N
XLogP4.86
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.59
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)methyl]-2-methyl-8-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 3-[(3-fluorophenyl)methyl]-2-methyl-8-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-1-one (CID 110150486) is 3-[(3-fluorophenyl)methyl]-2-methyl-8-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 3-[(3-fluorophenyl)methyl]-2-methyl-8-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 3-[(3-fluorophenyl)methyl]-2-methyl-8-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-1-one is CN1C(=O)C2(CCN(Cc3ccccc3OCc3ccccn3)CC2)CC1Cc1cccc(F)c1.
What is the InChIKey of 3-[(3-fluorophenyl)methyl]-2-methyl-8-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is XVIUTGHYEYUPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32FN3O2/c1-32-26(18-22-7-6-9-24(30)17-22)19-29(28(32)34)12-15-33(16-13-29)20-23-8-2-3-11-27(23)35-21-25-10-4-5-14-31-25/h2-11,14,17,26H,12-13,15-16,18-21H2,1H3.
What are the key properties of 3-[(3-fluorophenyl)methyl]-2-methyl-8-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-1-one?
3-[(3-fluorophenyl)methyl]-2-methyl-8-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 473.59 g/mol, XLogP of 4.86, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)methyl]-2-methyl-8-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 110150486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).