1-[2-[3-(trifluoromethyl)benzoyl]-2,8-diazaspiro[4.5]decan-8-yl]ethanone

C18H21F3N2O2 — CID 97449096

IUPAC1-[2-[3-(trifluoromethyl)benzoyl]-2,8-diazaspiro[4.5]decan-8-yl]ethanone
SMILESCC(=O)N1CCC2(CC1)CCN(C(=O)c1cccc(C(F)(F)F)c1)C2
InChIInChI=1S/C18H21F3N2O2/c1-13(24)22-8-5-17(6-9-22)7-10-23(12-17)16(25)14-3-2-4-15(11-14)18(19,20)21/h2-4,11H,5-10,12H2,1H3
InChIKeyWOANUEIYDVXXJB-UHFFFAOYSA-N
MW354.37 g/mol
LogP3.18
Rot. Bonds1

About 1-[2-[3-(trifluoromethyl)benzoyl]-2,8-diazaspiro[4.5]decan-8-yl]ethanone

1-[2-[3-(trifluoromethyl)benzoyl]-2,8-diazaspiro[4.5]decan-8-yl]ethanone (PubChem CID 97449096) has the molecular formula C18H21F3N2O2 and a molecular weight of 354.37 g/mol. Its IUPAC name is 1-[2-[3-(trifluoromethyl)benzoyl]-2,8-diazaspiro[4.5]decan-8-yl]ethanone.

Molecular Properties

Compound Name1-[2-[3-(trifluoromethyl)benzoyl]-2,8-diazaspiro[4.5]decan-8-yl]ethanone
PubChem CID97449096
Molecular FormulaC18H21F3N2O2
Molecular Weight354.37 g/mol
Exact Mass354.16
IUPAC Name1-[2-[3-(trifluoromethyl)benzoyl]-2,8-diazaspiro[4.5]decan-8-yl]ethanone
SMILESCC(=O)N1CCC2(CC1)CCN(C(=O)c1cccc(C(F)(F)F)c1)C2
InChIInChI=1S/C18H21F3N2O2/c1-13(24)22-8-5-17(6-9-22)7-10-23(12-17)16(25)14-3-2-4-15(11-14)18(19,20)21/h2-4,11H,5-10,12H2,1H3
InChIKeyWOANUEIYDVXXJB-UHFFFAOYSA-N
XLogP3.18
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(trifluoromethyl)benzoyl]-2,8-diazaspiro[4.5]decan-8-yl]ethanone?
The IUPAC name of 1-[2-[3-(trifluoromethyl)benzoyl]-2,8-diazaspiro[4.5]decan-8-yl]ethanone (CID 97449096) is 1-[2-[3-(trifluoromethyl)benzoyl]-2,8-diazaspiro[4.5]decan-8-yl]ethanone.
What is the SMILES notation for 1-[2-[3-(trifluoromethyl)benzoyl]-2,8-diazaspiro[4.5]decan-8-yl]ethanone?
The canonical SMILES for 1-[2-[3-(trifluoromethyl)benzoyl]-2,8-diazaspiro[4.5]decan-8-yl]ethanone is CC(=O)N1CCC2(CC1)CCN(C(=O)c1cccc(C(F)(F)F)c1)C2.
What is the InChIKey of 1-[2-[3-(trifluoromethyl)benzoyl]-2,8-diazaspiro[4.5]decan-8-yl]ethanone?
The InChIKey is WOANUEIYDVXXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N2O2/c1-13(24)22-8-5-17(6-9-22)7-10-23(12-17)16(25)14-3-2-4-15(11-14)18(19,20)21/h2-4,11H,5-10,12H2,1H3.
What are the key properties of 1-[2-[3-(trifluoromethyl)benzoyl]-2,8-diazaspiro[4.5]decan-8-yl]ethanone?
1-[2-[3-(trifluoromethyl)benzoyl]-2,8-diazaspiro[4.5]decan-8-yl]ethanone has a molecular weight of 354.37 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(trifluoromethyl)benzoyl]-2,8-diazaspiro[4.5]decan-8-yl]ethanone is sourced from PubChem (CID 97449096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).