1-[3-(4-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]-4-methylpentan-1-one

C19H25FN2O2 — CID 90251688

IUPAC1-[3-(4-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]-4-methylpentan-1-one
SMILESCC(C)CCC(=O)N1CCC2(CC1)CC(c1ccc(F)cc1)=NO2
InChIInChI=1S/C19H25FN2O2/c1-14(2)3-8-18(23)22-11-9-19(10-12-22)13-17(21-24-19)15-4-6-16(20)7-5-15/h4-7,14H,3,8-13H2,1-2H3
InChIKeyDTFLIYSPACUSPI-UHFFFAOYSA-N
MW332.42 g/mol
LogP3.75
Rot. Bonds4

About 1-[3-(4-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]-4-methylpentan-1-one

1-[3-(4-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]-4-methylpentan-1-one (PubChem CID 90251688) has the molecular formula C19H25FN2O2 and a molecular weight of 332.42 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]-4-methylpentan-1-one.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]-4-methylpentan-1-one
PubChem CID90251688
Molecular FormulaC19H25FN2O2
Molecular Weight332.42 g/mol
Exact Mass332.19
IUPAC Name1-[3-(4-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]-4-methylpentan-1-one
SMILESCC(C)CCC(=O)N1CCC2(CC1)CC(c1ccc(F)cc1)=NO2
InChIInChI=1S/C19H25FN2O2/c1-14(2)3-8-18(23)22-11-9-19(10-12-22)13-17(21-24-19)15-4-6-16(20)7-5-15/h4-7,14H,3,8-13H2,1-2H3
InChIKeyDTFLIYSPACUSPI-UHFFFAOYSA-N
XLogP3.75
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]-4-methylpentan-1-one?
The IUPAC name of 1-[3-(4-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]-4-methylpentan-1-one (CID 90251688) is 1-[3-(4-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]-4-methylpentan-1-one.
What is the SMILES notation for 1-[3-(4-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]-4-methylpentan-1-one?
The canonical SMILES for 1-[3-(4-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]-4-methylpentan-1-one is CC(C)CCC(=O)N1CCC2(CC1)CC(c1ccc(F)cc1)=NO2.
What is the InChIKey of 1-[3-(4-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]-4-methylpentan-1-one?
The InChIKey is DTFLIYSPACUSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O2/c1-14(2)3-8-18(23)22-11-9-19(10-12-22)13-17(21-24-19)15-4-6-16(20)7-5-15/h4-7,14H,3,8-13H2,1-2H3.
What are the key properties of 1-[3-(4-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]-4-methylpentan-1-one?
1-[3-(4-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]-4-methylpentan-1-one has a molecular weight of 332.42 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]-4-methylpentan-1-one is sourced from PubChem (CID 90251688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).