1-(3-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-4,4-difluoropentan-1-one;1-(3-cyclohexyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-4,4-difluoropentan-1-one;1-(3-cyclopentyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-4,4-difluoropentan-1-one;4,4-difluoro-1-[3-(furan-2-yl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]pentan-1-one;4,4-difluoro-1-(3-pyridin-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)pentan-1-one

C87H119F10N11O11 — CID 158058119

IUPAC1-(3-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-4,4-difluoropentan-1-one;1-(3-cyclohexyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-4,4-difluoropentan-1-one;1-(3-cyclopentyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-4,4-difluoropentan-1-one;4,4-difluoro-1-[3-(furan-2-yl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]pentan-1-one;4,4-difluoro-1-(3-pyridin-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)pentan-1-one
SMILESCC(F)(F)CCC(=O)N1CCC2(CC1)CC(C1CCCC1)=NO2.CC(F)(F)CCC(=O)N1CCC2(CC1)CC(C1CCCCC1)=NO2.CC(F)(F)CCC(=O)N1CCC2(CC1)CC(Cc1ccccc1)=NO2.CC(F)(F)CCC(=O)N1CCC2(CC1)CC(c1ccccn1)=NO2.CC(F)(F)CCC(=O)N1CCC2(CC1)CC(c1ccco1)=NO2
InChIInChI=1S/C19H24F2N2O2.C18H28F2N2O2.C17H21F2N3O2.C17H26F2N2O2.C16H20F2N2O3/c1-18(20,21)8-7-17(24)23-11-9-19(10-12-23)14-16(22-25-19)13-15-5-3-2-4-6-15;1-17(19,20)8-7-16(23)22-11-9-18(10-12-22)13-15(21-24-18)14-5-3-2-4-6-14;1-16(18,19)6-5-15(23)22-10-7-17(8-11-22)12-14(21-24-17)13-4-2-3-9-20-13;1-16(18,19)7-6-15(22)21-10-8-17(9-11-21)12-14(20-23-17)13-4-2-3-5-13;1-15(17,18)5-4-14(21)20-8-6-16(7-9-20)11-12(19-23-16)13-3-2-10-22-13/h2-6H,7-14H2,1H3;14H,2-13H2,1H3;2-4,9H,5-8,10-12H2,1H3;13H,2-12H2,1H3;2-3,10H,4-9,11H2,1H3
InChIKeyFKHWHSVPPHQYKE-UHFFFAOYSA-N
MW1684.95 g/mol
LogP17.89
Rot. Bonds21

About 1-(3-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-4,4-difluoropentan-1-one;1-(3-cyclohexyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-4,4-difluoropentan-1-one;1-(3-cyclopentyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-4,4-difluoropentan-1-one;4,4-difluoro-1-[3-(furan-2-yl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]pentan-1-one;4,4-difluoro-1-(3-pyridin-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)pentan-1-one

1-(3-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-4,4-difluoropentan-1-one;1-(3-cyclohexyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-4,4-difluoropentan-1-one;1-(3-cyclopentyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-4,4-difluoropentan-1-one;4,4-difluoro-1-[3-(furan-2-yl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]pentan-1-one;4,4-difluoro-1-(3-pyridin-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)pentan-1-one (PubChem CID 158058119) has the molecular formula C87H119F10N11O11 and a molecular weight of 1684.95 g/mol. Its IUPAC name is 1-(3-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-4,4-difluoropentan-1-one;1-(3-cyclohexyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-4,4-difluoropentan-1-one;1-(3-cyclopentyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-4,4-difluoropentan-1-one;4,4-difluoro-1-[3-(furan-2-yl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]pentan-1-one;4,4-difluoro-1-(3-pyridin-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)pentan-1-one.

Molecular Properties

Compound Name1-(3-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-4,4-difluoropentan-1-one;1-(3-cyclohexyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-4,4-difluoropentan-1-one;1-(3-cyclopentyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-4,4-difluoropentan-1-one;4,4-difluoro-1-[3-(furan-2-yl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]pentan-1-one;4,4-difluoro-1-(3-pyridin-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)pentan-1-one
PubChem CID158058119
Molecular FormulaC87H119F10N11O11
Molecular Weight1684.95 g/mol
Exact Mass1683.89
IUPAC Name1-(3-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-4,4-difluoropentan-1-one;1-(3-cyclohexyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-4,4-difluoropentan-1-one;1-(3-cyclopentyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-4,4-difluoropentan-1-one;4,4-difluoro-1-[3-(furan-2-yl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]pentan-1-one;4,4-difluoro-1-(3-pyridin-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)pentan-1-one
SMILESCC(F)(F)CCC(=O)N1CCC2(CC1)CC(C1CCCC1)=NO2.CC(F)(F)CCC(=O)N1CCC2(CC1)CC(C1CCCCC1)=NO2.CC(F)(F)CCC(=O)N1CCC2(CC1)CC(Cc1ccccc1)=NO2.CC(F)(F)CCC(=O)N1CCC2(CC1)CC(c1ccccn1)=NO2.CC(F)(F)CCC(=O)N1CCC2(CC1)CC(c1ccco1)=NO2
InChIInChI=1S/C19H24F2N2O2.C18H28F2N2O2.C17H21F2N3O2.C17H26F2N2O2.C16H20F2N2O3/c1-18(20,21)8-7-17(24)23-11-9-19(10-12-23)14-16(22-25-19)13-15-5-3-2-4-6-15;1-17(19,20)8-7-16(23)22-11-9-18(10-12-22)13-15(21-24-18)14-5-3-2-4-6-14;1-16(18,19)6-5-15(23)22-10-7-17(8-11-22)12-14(21-24-17)13-4-2-3-9-20-13;1-16(18,19)7-6-15(22)21-10-8-17(9-11-21)12-14(20-23-17)13-4-2-3-5-13;1-15(17,18)5-4-14(21)20-8-6-16(7-9-20)11-12(19-23-16)13-3-2-10-22-13/h2-6H,7-14H2,1H3;14H,2-13H2,1H3;2-4,9H,5-8,10-12H2,1H3;13H,2-12H2,1H3;2-3,10H,4-9,11H2,1H3
InChIKeyFKHWHSVPPHQYKE-UHFFFAOYSA-N
XLogP17.89
TPSA235.53 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds21
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001684.95
LogP ≤ 517.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 1-(3-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-4,4-difluoropentan-1-one;1-(3-cyclohexyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-4,4-difluoropentan-1-one;1-(3-cyclopentyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-4,4-difluoropentan-1-one;4,4-difluoro-1-[3-(furan-2-yl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]pentan-1-one;4,4-difluoro-1-(3-pyridin-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)pentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,4-Difluoro-1-[3-(furan-2-yl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]pentan-1-one;4,4-difluoro-1-(3-pyridin-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)pentan-1-one
CID 157963074
4,4-Difluoro-1-[3-(furan-2-yl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]pentan-1-one;4,4-difluoro-1-(3-pyridin-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)pentan-1-one;4-methyl-1-(3-naphthalen-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)pentan-1-one;4-methyl-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)pentan-1-one;4-methyl-1-[3-(4-propan-2-ylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]pentan-1-one;4-methyl-1-[3-[4-(trifluoromethoxy)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]pentan-1-one
CID 159961642
2,5-dimethylfuran;2,3-dimethyl-5-phenylfuran;2,5-dimethyl-1-phenylpyrrole;2,5-dimethyl-1-(trifluoromethyl)pyrrole;2-methyl-N-[(E)-2-(6-methyl-3-pyridinyl)ethenyl]prop-2-en-1-imine;2-methyl-4-(2-methyl-4-pyridinyl)pyridine;2-methyl-4-(6-methyl-3-pyridinyl)pyridine;2-methyl-5-(4-methyl-2-pyridinyl)pyridine;4-methyl-3-(4-methyl-3-pyridinyl)pyridine
CID 160268816
1-(3-Benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-4,4-difluoropentan-1-one;1-(3-cyclohexyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-4,4-difluoropentan-1-one;1-(3-cyclopentyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-4,4-difluoropentan-1-one;4,4-difluoro-1-[3-(furan-2-yl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]pentan-1-one;4,4-difluoro-1-(3-pyridin-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)pentan-1-one;4-methyl-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)pentan-1-one
CID 161902441
1-(3-methylbutyl)piperidine;2-(3-methylbutyl)pyridine;4-(3-methylbutyl)pyridine;1-(3-methylbutyl)pyrrolidine;1-(3-methylbutyl)pyrrolidin-2-one;6-methylheptan-2-one;2-methylhexane;1-methyl-4-(3-methylbutyl)piperazine;3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine;2-methylpropylbenzene;2-(2-methylpropyl)furan;1-(4-propan-2-ylcyclohexyl)pyrrolidine;N,N,3-trimethylbutanamide;N,N,3-trimethylbutan-1-amine;N,N,4-trimethylpentan-1-amine
CID 157303597
methane;4-(3-methylbutyl)morpholine;2-(3-methylbutyl)pyridine;4-(3-methylbutyl)pyridine;1-(3-methylbutyl)pyrrolidine;1-(3-methylbutyl)pyrrolidin-2-one;6-methylheptan-2-one;2-methylhexane;1-methyl-4-(3-methylbutyl)piperazine;3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine;2-methylpropylbenzene;2-(2-methylpropyl)furan;1-(4-propan-2-ylcyclohexyl)pyrrolidine;N,N,3-trimethylbutanamide;N,N,3-trimethylbutan-1-amine;N,N,4-trimethylpentan-1-amine
CID 159537120
4-(2,2-Dimethylpropyl)-1-hydroxypyridin-1-ium;2-(2,2-dimethylpropyl)pyridine;5-fluoro-2-(2-methylpropyl)pyridine;methane;2-methyl-4-(2-methylpropyl)pyridine;2-methyl-5-(2-methylpropyl)pyridine;2-(2-methylpropyl)furan;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine
CID 160550748
4-(2,2-Dimethylpropyl)-1-hydroxypyridin-1-ium;2-(2,2-dimethylpropyl)pyridine;5-fluoro-2-(2-methylpropyl)pyridine;2-methyl-4-(2-methylpropyl)pyridine;2-methyl-5-(2-methylpropyl)pyridine;2-(2-methylpropyl)furan;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine
CID 160970227

Frequently Asked Questions

What is the IUPAC name of 1-(3-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-4,4-difluoropentan-1-one;1-(3-cyclohexyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-4,4-difluoropentan-1-one;1-(3-cyclopentyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-4,4-difluoropentan-1-one;4,4-difluoro-1-[3-(furan-2-yl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]pentan-1-one;4,4-difluoro-1-(3-pyridin-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)pentan-1-one?
The IUPAC name of 1-(3-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-4,4-difluoropentan-1-one;1-(3-cyclohexyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-4,4-difluoropentan-1-one;1-(3-cyclopentyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-4,4-difluoropentan-1-one;4,4-difluoro-1-[3-(furan-2-yl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]pentan-1-one;4,4-difluoro-1-(3-pyridin-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)pentan-1-one (CID 158058119) is 1-(3-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-4,4-difluoropentan-1-one;1-(3-cyclohexyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-4,4-difluoropentan-1-one;1-(3-cyclopentyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-4,4-difluoropentan-1-one;4,4-difluoro-1-[3-(furan-2-yl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]pentan-1-one;4,4-difluoro-1-(3-pyridin-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)pentan-1-one.
What is the SMILES notation for 1-(3-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-4,4-difluoropentan-1-one;1-(3-cyclohexyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-4,4-difluoropentan-1-one;1-(3-cyclopentyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-4,4-difluoropentan-1-one;4,4-difluoro-1-[3-(furan-2-yl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]pentan-1-one;4,4-difluoro-1-(3-pyridin-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)pentan-1-one?
The canonical SMILES for 1-(3-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-4,4-difluoropentan-1-one;1-(3-cyclohexyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-4,4-difluoropentan-1-one;1-(3-cyclopentyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-4,4-difluoropentan-1-one;4,4-difluoro-1-[3-(furan-2-yl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]pentan-1-one;4,4-difluoro-1-(3-pyridin-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)pentan-1-one is CC(F)(F)CCC(=O)N1CCC2(CC1)CC(C1CCCC1)=NO2.CC(F)(F)CCC(=O)N1CCC2(CC1)CC(C1CCCCC1)=NO2.CC(F)(F)CCC(=O)N1CCC2(CC1)CC(Cc1ccccc1)=NO2.CC(F)(F)CCC(=O)N1CCC2(CC1)CC(c1ccccn1)=NO2.CC(F)(F)CCC(=O)N1CCC2(CC1)CC(c1ccco1)=NO2.
What is the InChIKey of 1-(3-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-4,4-difluoropentan-1-one;1-(3-cyclohexyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-4,4-difluoropentan-1-one;1-(3-cyclopentyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-4,4-difluoropentan-1-one;4,4-difluoro-1-[3-(furan-2-yl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]pentan-1-one;4,4-difluoro-1-(3-pyridin-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)pentan-1-one?
The InChIKey is FKHWHSVPPHQYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N2O2.C18H28F2N2O2.C17H21F2N3O2.C17H26F2N2O2.C16H20F2N2O3/c1-18(20,21)8-7-17(24)23-11-9-19(10-12-23)14-16(22-25-19)13-15-5-3-2-4-6-15;1-17(19,20)8-7-16(23)22-11-9-18(10-12-22)13-15(21-24-18)14-5-3-2-4-6-14;1-16(18,19)6-5-15(23)22-10-7-17(8-11-22)12-14(21-24-17)13-4-2-3-9-20-13;1-16(18,19)7-6-15(22)21-10-8-17(9-11-21)12-14(20-23-17)13-4-2-3-5-13;1-15(17,18)5-4-14(21)20-8-6-16(7-9-20)11-12(19-23-16)13-3-2-10-22-13/h2-6H,7-14H2,1H3;14H,2-13H2,1H3;2-4,9H,5-8,10-12H2,1H3;13H,2-12H2,1H3;2-3,10H,4-9,11H2,1H3.
What are the key properties of 1-(3-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-4,4-difluoropentan-1-one;1-(3-cyclohexyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-4,4-difluoropentan-1-one;1-(3-cyclopentyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-4,4-difluoropentan-1-one;4,4-difluoro-1-[3-(furan-2-yl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]pentan-1-one;4,4-difluoro-1-(3-pyridin-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)pentan-1-one?
1-(3-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-4,4-difluoropentan-1-one;1-(3-cyclohexyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-4,4-difluoropentan-1-one;1-(3-cyclopentyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-4,4-difluoropentan-1-one;4,4-difluoro-1-[3-(furan-2-yl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]pentan-1-one;4,4-difluoro-1-(3-pyridin-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)pentan-1-one has a molecular weight of 1684.95 g/mol, XLogP of 17.89, 21 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-4,4-difluoropentan-1-one;1-(3-cyclohexyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-4,4-difluoropentan-1-one;1-(3-cyclopentyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-4,4-difluoropentan-1-one;4,4-difluoro-1-[3-(furan-2-yl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]pentan-1-one;4,4-difluoro-1-(3-pyridin-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)pentan-1-one is sourced from PubChem (CID 158058119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).