7-[(2,3-difluorophenyl)methyl]-2-(2,2-dimethylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one

C20H26F2N2O2 — CID 45233849

IUPAC7-[(2,3-difluorophenyl)methyl]-2-(2,2-dimethylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCC(C)(C)C(=O)N1CCC2(CCCN(Cc3cccc(F)c3F)C2=O)C1
InChIInChI=1S/C20H26F2N2O2/c1-19(2,3)17(25)24-11-9-20(13-24)8-5-10-23(18(20)26)12-14-6-4-7-15(21)16(14)22/h4,6-7H,5,8-13H2,1-3H3
InChIKeyZHGMYMLRQQGOMX-UHFFFAOYSA-N
MW364.44 g/mol
LogP3.35
Rot. Bonds2

About 7-[(2,3-difluorophenyl)methyl]-2-(2,2-dimethylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one

7-[(2,3-difluorophenyl)methyl]-2-(2,2-dimethylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 45233849) has the molecular formula C20H26F2N2O2 and a molecular weight of 364.44 g/mol. Its IUPAC name is 7-[(2,3-difluorophenyl)methyl]-2-(2,2-dimethylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-[(2,3-difluorophenyl)methyl]-2-(2,2-dimethylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID45233849
Molecular FormulaC20H26F2N2O2
Molecular Weight364.44 g/mol
Exact Mass364.20
IUPAC Name7-[(2,3-difluorophenyl)methyl]-2-(2,2-dimethylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCC(C)(C)C(=O)N1CCC2(CCCN(Cc3cccc(F)c3F)C2=O)C1
InChIInChI=1S/C20H26F2N2O2/c1-19(2,3)17(25)24-11-9-20(13-24)8-5-10-23(18(20)26)12-14-6-4-7-15(21)16(14)22/h4,6-7H,5,8-13H2,1-3H3
InChIKeyZHGMYMLRQQGOMX-UHFFFAOYSA-N
XLogP3.35
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-[(2,3-difluorophenyl)methyl]-2-(2,2-dimethylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-[(2,3-difluorophenyl)methyl]-2-(2,2-dimethylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one (CID 45233849) is 7-[(2,3-difluorophenyl)methyl]-2-(2,2-dimethylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-[(2,3-difluorophenyl)methyl]-2-(2,2-dimethylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-[(2,3-difluorophenyl)methyl]-2-(2,2-dimethylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one is CC(C)(C)C(=O)N1CCC2(CCCN(Cc3cccc(F)c3F)C2=O)C1.
What is the InChIKey of 7-[(2,3-difluorophenyl)methyl]-2-(2,2-dimethylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is ZHGMYMLRQQGOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F2N2O2/c1-19(2,3)17(25)24-11-9-20(13-24)8-5-10-23(18(20)26)12-14-6-4-7-15(21)16(14)22/h4,6-7H,5,8-13H2,1-3H3.
What are the key properties of 7-[(2,3-difluorophenyl)methyl]-2-(2,2-dimethylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one?
7-[(2,3-difluorophenyl)methyl]-2-(2,2-dimethylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 364.44 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2,3-difluorophenyl)methyl]-2-(2,2-dimethylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 45233849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).