3-cyclohexyl-8-[2-(4-fluorophenyl)ethyl]-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C22H29FN2O2 — CID 3077251

IUPAC3-cyclohexyl-8-[2-(4-fluorophenyl)ethyl]-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESC=C1N(C2CCCCC2)C(=O)OC12CCN(CCc1ccc(F)cc1)CC2
InChIInChI=1S/C22H29FN2O2/c1-17-22(27-21(26)25(17)20-5-3-2-4-6-20)12-15-24(16-13-22)14-11-18-7-9-19(23)10-8-18/h7-10,20H,1-6,11-16H2
InChIKeyIEXYYBDEFFUBMZ-UHFFFAOYSA-N
MW372.48 g/mol
LogP4.50
Rot. Bonds4

About 3-cyclohexyl-8-[2-(4-fluorophenyl)ethyl]-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-cyclohexyl-8-[2-(4-fluorophenyl)ethyl]-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 3077251) has the molecular formula C22H29FN2O2 and a molecular weight of 372.48 g/mol. Its IUPAC name is 3-cyclohexyl-8-[2-(4-fluorophenyl)ethyl]-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-cyclohexyl-8-[2-(4-fluorophenyl)ethyl]-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID3077251
Molecular FormulaC22H29FN2O2
Molecular Weight372.48 g/mol
Exact Mass372.22
IUPAC Name3-cyclohexyl-8-[2-(4-fluorophenyl)ethyl]-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESC=C1N(C2CCCCC2)C(=O)OC12CCN(CCc1ccc(F)cc1)CC2
InChIInChI=1S/C22H29FN2O2/c1-17-22(27-21(26)25(17)20-5-3-2-4-6-20)12-15-24(16-13-22)14-11-18-7-9-19(23)10-8-18/h7-10,20H,1-6,11-16H2
InChIKeyIEXYYBDEFFUBMZ-UHFFFAOYSA-N
XLogP4.50
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.48
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-8-[2-(4-fluorophenyl)ethyl]-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-cyclohexyl-8-[2-(4-fluorophenyl)ethyl]-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 3077251) is 3-cyclohexyl-8-[2-(4-fluorophenyl)ethyl]-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-cyclohexyl-8-[2-(4-fluorophenyl)ethyl]-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-cyclohexyl-8-[2-(4-fluorophenyl)ethyl]-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one is C=C1N(C2CCCCC2)C(=O)OC12CCN(CCc1ccc(F)cc1)CC2.
What is the InChIKey of 3-cyclohexyl-8-[2-(4-fluorophenyl)ethyl]-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is IEXYYBDEFFUBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN2O2/c1-17-22(27-21(26)25(17)20-5-3-2-4-6-20)12-15-24(16-13-22)14-11-18-7-9-19(23)10-8-18/h7-10,20H,1-6,11-16H2.
What are the key properties of 3-cyclohexyl-8-[2-(4-fluorophenyl)ethyl]-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-cyclohexyl-8-[2-(4-fluorophenyl)ethyl]-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 372.48 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-8-[2-(4-fluorophenyl)ethyl]-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 3077251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).