2-[(3,4-difluorophenyl)methyl]-8-pyridin-4-yl-2,8-diazaspiro[4.5]decan-3-one

C20H21F2N3O — CID 70737867

IUPAC2-[(3,4-difluorophenyl)methyl]-8-pyridin-4-yl-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCN(c3ccncc3)CC2)CN1Cc1ccc(F)c(F)c1
InChIInChI=1S/C20H21F2N3O/c21-17-2-1-15(11-18(17)22)13-25-14-20(12-19(25)26)5-9-24(10-6-20)16-3-7-23-8-4-16/h1-4,7-8,11H,5-6,9-10,12-14H2
InChIKeyCEZHXYBKRAXUEY-UHFFFAOYSA-N
MW357.40 g/mol
LogP3.38
Rot. Bonds3

About 2-[(3,4-difluorophenyl)methyl]-8-pyridin-4-yl-2,8-diazaspiro[4.5]decan-3-one

2-[(3,4-difluorophenyl)methyl]-8-pyridin-4-yl-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 70737867) has the molecular formula C20H21F2N3O and a molecular weight of 357.40 g/mol. Its IUPAC name is 2-[(3,4-difluorophenyl)methyl]-8-pyridin-4-yl-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-[(3,4-difluorophenyl)methyl]-8-pyridin-4-yl-2,8-diazaspiro[4.5]decan-3-one
PubChem CID70737867
Molecular FormulaC20H21F2N3O
Molecular Weight357.40 g/mol
Exact Mass357.17
IUPAC Name2-[(3,4-difluorophenyl)methyl]-8-pyridin-4-yl-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCN(c3ccncc3)CC2)CN1Cc1ccc(F)c(F)c1
InChIInChI=1S/C20H21F2N3O/c21-17-2-1-15(11-18(17)22)13-25-14-20(12-19(25)26)5-9-24(10-6-20)16-3-7-23-8-4-16/h1-4,7-8,11H,5-6,9-10,12-14H2
InChIKeyCEZHXYBKRAXUEY-UHFFFAOYSA-N
XLogP3.38
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.40
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3,4-difluorophenyl)methyl]-8-ethyl-2,8-diazaspiro[4.5]decan-3-one
CID 70728701
2-[(3,4-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 82930927
2-[2-[(3,4-difluorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]propanamide
CID 70721948
2-[(3,4-difluorophenyl)methyl]-8-(3-methylsulfanylpropanoyl)-2,8-diazaspiro[4.5]decan-3-one
CID 70721853
2-[(3,4-difluorophenyl)methyl]-8-(oxolan-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 70757546
2-benzyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-3-one
CID 70746319
2-[(4-chlorophenyl)methyl]-8-[6-(dimethylamino)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-3-one
CID 72842368
8-(3-methylbut-2-enoyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 98894942
8-[(2-fluorophenyl)methyl]-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 98895518
2-[(4-chlorophenyl)methyl]-8-(2-imidazol-1-ylacetyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72841661
8-(pyridine-4-carbonyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 98895861
2-[(4-chlorophenyl)methyl]-8-cyclopentyl-2,8-diazaspiro[4.5]decan-3-one
CID 72852011

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-difluorophenyl)methyl]-8-pyridin-4-yl-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-[(3,4-difluorophenyl)methyl]-8-pyridin-4-yl-2,8-diazaspiro[4.5]decan-3-one (CID 70737867) is 2-[(3,4-difluorophenyl)methyl]-8-pyridin-4-yl-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-[(3,4-difluorophenyl)methyl]-8-pyridin-4-yl-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-[(3,4-difluorophenyl)methyl]-8-pyridin-4-yl-2,8-diazaspiro[4.5]decan-3-one is O=C1CC2(CCN(c3ccncc3)CC2)CN1Cc1ccc(F)c(F)c1.
What is the InChIKey of 2-[(3,4-difluorophenyl)methyl]-8-pyridin-4-yl-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is CEZHXYBKRAXUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3O/c21-17-2-1-15(11-18(17)22)13-25-14-20(12-19(25)26)5-9-24(10-6-20)16-3-7-23-8-4-16/h1-4,7-8,11H,5-6,9-10,12-14H2.
What are the key properties of 2-[(3,4-difluorophenyl)methyl]-8-pyridin-4-yl-2,8-diazaspiro[4.5]decan-3-one?
2-[(3,4-difluorophenyl)methyl]-8-pyridin-4-yl-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 357.40 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-difluorophenyl)methyl]-8-pyridin-4-yl-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 70737867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).