8-[(2,6-difluorophenyl)methyl]-2-(3-methylbut-2-enyl)-2,8-diazaspiro[4.5]decan-3-one

C20H26F2N2O — CID 72886752

IUPAC8-[(2,6-difluorophenyl)methyl]-2-(3-methylbut-2-enyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCC(C)=CCN1CC2(CCN(Cc3c(F)cccc3F)CC2)CC1=O
InChIInChI=1S/C20H26F2N2O/c1-15(2)6-9-24-14-20(12-19(24)25)7-10-23(11-8-20)13-16-17(21)4-3-5-18(16)22/h3-6H,7-14H2,1-2H3
InChIKeyUEBLMBNQUCOYDD-UHFFFAOYSA-N
MW348.44 g/mol
LogP3.75
Rot. Bonds4

About 8-[(2,6-difluorophenyl)methyl]-2-(3-methylbut-2-enyl)-2,8-diazaspiro[4.5]decan-3-one

8-[(2,6-difluorophenyl)methyl]-2-(3-methylbut-2-enyl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 72886752) has the molecular formula C20H26F2N2O and a molecular weight of 348.44 g/mol. Its IUPAC name is 8-[(2,6-difluorophenyl)methyl]-2-(3-methylbut-2-enyl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-[(2,6-difluorophenyl)methyl]-2-(3-methylbut-2-enyl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID72886752
Molecular FormulaC20H26F2N2O
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name8-[(2,6-difluorophenyl)methyl]-2-(3-methylbut-2-enyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCC(C)=CCN1CC2(CCN(Cc3c(F)cccc3F)CC2)CC1=O
InChIInChI=1S/C20H26F2N2O/c1-15(2)6-9-24-14-20(12-19(24)25)7-10-23(11-8-20)13-16-17(21)4-3-5-18(16)22/h3-6H,7-14H2,1-2H3
InChIKeyUEBLMBNQUCOYDD-UHFFFAOYSA-N
XLogP3.75
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl]-2,2-dimethylpropan-1-one
CID 24901489
4-[4-[Bis(4-fluorophenyl)methylidene]piperidin-1-yl]-1-pyrrolidin-1-ylbutan-1-one
CID 9804326
1-benzyl-N,N-diethyl-3-piperidinecarboxamide
CID 2838082
1-Benzyl-4,4-dimethylpiperidine-2,6-dione
CID 4417522
Rac-8-[1-(4-fluoro-phenyl)-cyclohexyl]-4-propyl-2,8-diaza-spiro[4.5]decan-1-one
CID 44414876
N-[(2-fluorophenyl)methyl]-N,2,2-trimethylbutanamide
CID 121446659
N,1-dimethyl-N-[(2,3,5-trifluorophenyl)methyl]cyclohexane-1-carboxamide
CID 121446676
N-[(2,4-difluorophenyl)methyl]-N,2,2-trimethylbutanamide
CID 121446757
N-[(2,3-difluorophenyl)methyl]-N,2,2-trimethylbutanamide
CID 121446778
N-[(3-fluorophenyl)methyl]-N,2,2-trimethylbutanamide
CID 121446782
N-[(2,5-difluorophenyl)methyl]-N,2,2-trimethylbutanamide
CID 121446783
N,2,2-trimethyl-N-[(2,3,5-trifluorophenyl)methyl]butanamide
CID 121446847

Frequently Asked Questions

What is the IUPAC name of 8-[(2,6-difluorophenyl)methyl]-2-(3-methylbut-2-enyl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-[(2,6-difluorophenyl)methyl]-2-(3-methylbut-2-enyl)-2,8-diazaspiro[4.5]decan-3-one (CID 72886752) is 8-[(2,6-difluorophenyl)methyl]-2-(3-methylbut-2-enyl)-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-[(2,6-difluorophenyl)methyl]-2-(3-methylbut-2-enyl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-[(2,6-difluorophenyl)methyl]-2-(3-methylbut-2-enyl)-2,8-diazaspiro[4.5]decan-3-one is CC(C)=CCN1CC2(CCN(Cc3c(F)cccc3F)CC2)CC1=O.
What is the InChIKey of 8-[(2,6-difluorophenyl)methyl]-2-(3-methylbut-2-enyl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is UEBLMBNQUCOYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F2N2O/c1-15(2)6-9-24-14-20(12-19(24)25)7-10-23(11-8-20)13-16-17(21)4-3-5-18(16)22/h3-6H,7-14H2,1-2H3.
What are the key properties of 8-[(2,6-difluorophenyl)methyl]-2-(3-methylbut-2-enyl)-2,8-diazaspiro[4.5]decan-3-one?
8-[(2,6-difluorophenyl)methyl]-2-(3-methylbut-2-enyl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 348.44 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2,6-difluorophenyl)methyl]-2-(3-methylbut-2-enyl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 72886752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).