8-[(3-fluoro-4-methylphenyl)methyl]-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one

C23H27FN2O — CID 72868703

IUPAC8-[(3-fluoro-4-methylphenyl)methyl]-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
SMILESCc1ccc(CN2CCC3(CC2)CC(c2ccccc2)C(=O)N3C)cc1F
InChIInChI=1S/C23H27FN2O/c1-17-8-9-18(14-21(17)24)16-26-12-10-23(11-13-26)15-20(22(27)25(23)2)19-6-4-3-5-7-19/h3-9,14,20H,10-13,15-16H2,1-2H3
InChIKeyCOKAMRRKPWZAHU-UHFFFAOYSA-N
MW366.48 g/mol
LogP4.11
Rot. Bonds3

About 8-[(3-fluoro-4-methylphenyl)methyl]-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one

8-[(3-fluoro-4-methylphenyl)methyl]-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 72868703) has the molecular formula C23H27FN2O and a molecular weight of 366.48 g/mol. Its IUPAC name is 8-[(3-fluoro-4-methylphenyl)methyl]-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[(3-fluoro-4-methylphenyl)methyl]-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
PubChem CID72868703
Molecular FormulaC23H27FN2O
Molecular Weight366.48 g/mol
Exact Mass366.21
IUPAC Name8-[(3-fluoro-4-methylphenyl)methyl]-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
SMILESCc1ccc(CN2CCC3(CC2)CC(c2ccccc2)C(=O)N3C)cc1F
InChIInChI=1S/C23H27FN2O/c1-17-8-9-18(14-21(17)24)16-26-12-10-23(11-13-26)15-20(22(27)25(23)2)19-6-4-3-5-7-19/h3-9,14,20H,10-13,15-16H2,1-2H3
InChIKeyCOKAMRRKPWZAHU-UHFFFAOYSA-N
XLogP4.11
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-[(3-fluoro-4-methylphenyl)methyl]-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[(3-fluoro-4-methylphenyl)methyl]-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one (CID 72868703) is 8-[(3-fluoro-4-methylphenyl)methyl]-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[(3-fluoro-4-methylphenyl)methyl]-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[(3-fluoro-4-methylphenyl)methyl]-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one is Cc1ccc(CN2CCC3(CC2)CC(c2ccccc2)C(=O)N3C)cc1F.
What is the InChIKey of 8-[(3-fluoro-4-methylphenyl)methyl]-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is COKAMRRKPWZAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O/c1-17-8-9-18(14-21(17)24)16-26-12-10-23(11-13-26)15-20(22(27)25(23)2)19-6-4-3-5-7-19/h3-9,14,20H,10-13,15-16H2,1-2H3.
What are the key properties of 8-[(3-fluoro-4-methylphenyl)methyl]-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
8-[(3-fluoro-4-methylphenyl)methyl]-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 366.48 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-fluoro-4-methylphenyl)methyl]-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 72868703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).