1-phenylmethoxy-8-[2-(2,4,6-trifluorophenyl)acetyl]-1,8-diazaspiro[4.5]decan-2-one

C23H23F3N2O3 — CID 56852502

IUPAC1-phenylmethoxy-8-[2-(2,4,6-trifluorophenyl)acetyl]-1,8-diazaspiro[4.5]decan-2-one
SMILESO=C(Cc1c(F)cc(F)cc1F)N1CCC2(CCC(=O)N2OCc2ccccc2)CC1
InChIInChI=1S/C23H23F3N2O3/c24-17-12-19(25)18(20(26)13-17)14-22(30)27-10-8-23(9-11-27)7-6-21(29)28(23)31-15-16-4-2-1-3-5-16/h1-5,12-13H,6-11,14-15H2
InChIKeyKOPSWJIYBZECHY-UHFFFAOYSA-N
MW432.44 g/mol
LogP3.76
Rot. Bonds5

About 1-phenylmethoxy-8-[2-(2,4,6-trifluorophenyl)acetyl]-1,8-diazaspiro[4.5]decan-2-one

1-phenylmethoxy-8-[2-(2,4,6-trifluorophenyl)acetyl]-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 56852502) has the molecular formula C23H23F3N2O3 and a molecular weight of 432.44 g/mol. Its IUPAC name is 1-phenylmethoxy-8-[2-(2,4,6-trifluorophenyl)acetyl]-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-phenylmethoxy-8-[2-(2,4,6-trifluorophenyl)acetyl]-1,8-diazaspiro[4.5]decan-2-one
PubChem CID56852502
Molecular FormulaC23H23F3N2O3
Molecular Weight432.44 g/mol
Exact Mass432.17
IUPAC Name1-phenylmethoxy-8-[2-(2,4,6-trifluorophenyl)acetyl]-1,8-diazaspiro[4.5]decan-2-one
SMILESO=C(Cc1c(F)cc(F)cc1F)N1CCC2(CCC(=O)N2OCc2ccccc2)CC1
InChIInChI=1S/C23H23F3N2O3/c24-17-12-19(25)18(20(26)13-17)14-22(30)27-10-8-23(9-11-27)7-6-21(29)28(23)31-15-16-4-2-1-3-5-16/h1-5,12-13H,6-11,14-15H2
InChIKeyKOPSWJIYBZECHY-UHFFFAOYSA-N
XLogP3.76
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.44
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenylmethoxy-8-[2-(2,4,6-trifluorophenyl)acetyl]-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-phenylmethoxy-8-[2-(2,4,6-trifluorophenyl)acetyl]-1,8-diazaspiro[4.5]decan-2-one (CID 56852502) is 1-phenylmethoxy-8-[2-(2,4,6-trifluorophenyl)acetyl]-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-phenylmethoxy-8-[2-(2,4,6-trifluorophenyl)acetyl]-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-phenylmethoxy-8-[2-(2,4,6-trifluorophenyl)acetyl]-1,8-diazaspiro[4.5]decan-2-one is O=C(Cc1c(F)cc(F)cc1F)N1CCC2(CCC(=O)N2OCc2ccccc2)CC1.
What is the InChIKey of 1-phenylmethoxy-8-[2-(2,4,6-trifluorophenyl)acetyl]-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is KOPSWJIYBZECHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N2O3/c24-17-12-19(25)18(20(26)13-17)14-22(30)27-10-8-23(9-11-27)7-6-21(29)28(23)31-15-16-4-2-1-3-5-16/h1-5,12-13H,6-11,14-15H2.
What are the key properties of 1-phenylmethoxy-8-[2-(2,4,6-trifluorophenyl)acetyl]-1,8-diazaspiro[4.5]decan-2-one?
1-phenylmethoxy-8-[2-(2,4,6-trifluorophenyl)acetyl]-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 432.44 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylmethoxy-8-[2-(2,4,6-trifluorophenyl)acetyl]-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 56852502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).