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

C29H32FN3O2 — CID 125019346

IUPAC(3R)-3-[(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)C[C@H]1Cc1cccc(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/t26-/m1/s1
InChIKeyXVIUTGHYEYUPIZ-AREMUKBSSA-N
MW473.59 g/mol
LogP4.86
Rot. Bonds7

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

(3R)-3-[(3-fluorophenyl)methyl]-2-methyl-8-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 125019346) has the molecular formula C29H32FN3O2 and a molecular weight of 473.59 g/mol. Its IUPAC name is (3R)-3-[(3-fluorophenyl)methyl]-2-methyl-8-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name(3R)-3-[(3-fluorophenyl)methyl]-2-methyl-8-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID125019346
Molecular FormulaC29H32FN3O2
Molecular Weight473.59 g/mol
Exact Mass473.25
IUPAC Name(3R)-3-[(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)C[C@H]1Cc1cccc(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/t26-/m1/s1
InChIKeyXVIUTGHYEYUPIZ-AREMUKBSSA-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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Related Compounds

3-[(3-fluorophenyl)methyl]-2-methyl-8-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-1-one
CID 110150486
(3S)-3-[(4-fluorophenyl)methyl]-2-methyl-8-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-1-one
CID 129457381
(3R)-3-benzyl-2-methyl-8-[[2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-1-one
CID 124990038
(3S)-3-benzyl-2-methyl-8-[[2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-1-one
CID 124990039
2-[2-[[(3S)-3-benzyl-2-methyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]methyl]-5-tert-butylphenoxy]acetamide
CID 129455973
(3S)-2-methyl-3-(pyridin-2-ylmethyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one
CID 124968480
(3S)-3-[(4-fluorophenyl)methyl]-2-methyl-8-(quinoline-5-carbonyl)-2,8-diazaspiro[4.5]decan-1-one
CID 125018372
3-benzyl-8-(1-benzyl-4-methylpiperidine-4-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one
CID 175659156
(5R)-7-[(2,3-dimethoxyphenyl)methyl]-2-(2-pyridin-2-ylethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 126426884
3-[(4-fluorophenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one
CID 110082482
N-methyl-3-pyridin-2-yl-1-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 110149669
N-[[4-[(2S)-1-[[2-[(3-fluorophenyl)methoxy]phenyl]methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124986856

Frequently Asked Questions

What is the IUPAC name of (3R)-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 (3R)-3-[(3-fluorophenyl)methyl]-2-methyl-8-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-1-one (CID 125019346) is (3R)-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 (3R)-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 (3R)-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)C[C@H]1Cc1cccc(F)c1.
What is the InChIKey of (3R)-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-AREMUKBSSA-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/t26-/m1/s1.
What are the key properties of (3R)-3-[(3-fluorophenyl)methyl]-2-methyl-8-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-1-one?
(3R)-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 (3R)-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 125019346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).