8-benzyl-2-[bis(4-fluorophenyl)methyl]-6-hydroxy-2,8-diazaspiro[4.5]decan-1-one

C28H28F2N2O2 — CID 118962932

IUPAC8-benzyl-2-[bis(4-fluorophenyl)methyl]-6-hydroxy-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1N(C(c2ccc(F)cc2)c2ccc(F)cc2)CCC12CCN(Cc1ccccc1)CC2O
InChIInChI=1S/C28H28F2N2O2/c29-23-10-6-21(7-11-23)26(22-8-12-24(30)13-9-22)32-17-15-28(27(32)34)14-16-31(19-25(28)33)18-20-4-2-1-3-5-20/h1-13,25-26,33H,14-19H2
InChIKeyJUXGVZMSAQQLLN-UHFFFAOYSA-N
MW462.54 g/mol
LogP4.54
Rot. Bonds5

About 8-benzyl-2-[bis(4-fluorophenyl)methyl]-6-hydroxy-2,8-diazaspiro[4.5]decan-1-one

8-benzyl-2-[bis(4-fluorophenyl)methyl]-6-hydroxy-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 118962932) has the molecular formula C28H28F2N2O2 and a molecular weight of 462.54 g/mol. Its IUPAC name is 8-benzyl-2-[bis(4-fluorophenyl)methyl]-6-hydroxy-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-benzyl-2-[bis(4-fluorophenyl)methyl]-6-hydroxy-2,8-diazaspiro[4.5]decan-1-one
PubChem CID118962932
Molecular FormulaC28H28F2N2O2
Molecular Weight462.54 g/mol
Exact Mass462.21
IUPAC Name8-benzyl-2-[bis(4-fluorophenyl)methyl]-6-hydroxy-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1N(C(c2ccc(F)cc2)c2ccc(F)cc2)CCC12CCN(Cc1ccccc1)CC2O
InChIInChI=1S/C28H28F2N2O2/c29-23-10-6-21(7-11-23)26(22-8-12-24(30)13-9-22)32-17-15-28(27(32)34)14-16-31(19-25(28)33)18-20-4-2-1-3-5-20/h1-13,25-26,33H,14-19H2
InChIKeyJUXGVZMSAQQLLN-UHFFFAOYSA-N
XLogP4.54
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.54
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(4-Benzhydrylpiperazin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one
CID 11144455
8-[Bis(4-fluorophenyl)methyl]-2-(3-propan-2-yloxypropyl)-2,8-diazaspiro[4.5]decan-1-one
CID 52943100
8-[Bis(4-fluorophenyl)methyl]-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 52943120
8-[Bis(4-fluorophenyl)methyl]-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-1-one
CID 52947959
2,2-bis(4-fluorophenyl)-N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-N-methylacetamide
CID 19439860
2,2-bis(4-fluorophenyl)-N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methylacetamide
CID 44374278
2,2-bis(4-fluorophenyl)-1-[1-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
CID 57298698
3-[(2S)-4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 58641296
(2R,3R)-3-{benzyl[(1R)-1-phenylethyl]amino}-1-[(3S)-3-(4-fluorobenzyl)piperidin-1-yl]-1-oxobutan-2-ol
CID 59102649
N-[(1S)-1-(2,4-difluorophenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methyl-2,2-diphenylpropanamide
CID 67673131
2,2-bis(4-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methylacetamide
CID 67673324
2,2-bis(4-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methylpropanamide
CID 67673412

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-2-[bis(4-fluorophenyl)methyl]-6-hydroxy-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-benzyl-2-[bis(4-fluorophenyl)methyl]-6-hydroxy-2,8-diazaspiro[4.5]decan-1-one (CID 118962932) is 8-benzyl-2-[bis(4-fluorophenyl)methyl]-6-hydroxy-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-benzyl-2-[bis(4-fluorophenyl)methyl]-6-hydroxy-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-benzyl-2-[bis(4-fluorophenyl)methyl]-6-hydroxy-2,8-diazaspiro[4.5]decan-1-one is O=C1N(C(c2ccc(F)cc2)c2ccc(F)cc2)CCC12CCN(Cc1ccccc1)CC2O.
What is the InChIKey of 8-benzyl-2-[bis(4-fluorophenyl)methyl]-6-hydroxy-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is JUXGVZMSAQQLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F2N2O2/c29-23-10-6-21(7-11-23)26(22-8-12-24(30)13-9-22)32-17-15-28(27(32)34)14-16-31(19-25(28)33)18-20-4-2-1-3-5-20/h1-13,25-26,33H,14-19H2.
What are the key properties of 8-benzyl-2-[bis(4-fluorophenyl)methyl]-6-hydroxy-2,8-diazaspiro[4.5]decan-1-one?
8-benzyl-2-[bis(4-fluorophenyl)methyl]-6-hydroxy-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 462.54 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-2-[bis(4-fluorophenyl)methyl]-6-hydroxy-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 118962932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).