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

C17H23FN2O3 — CID 3077295

IUPAC8-[2-(4-fluorophenyl)ethyl]-4-hydroxy-3,4-dimethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCN1C(=O)OC2(CCN(CCc3ccc(F)cc3)CC2)C1(C)O
InChIInChI=1S/C17H23FN2O3/c1-16(22)17(23-15(21)19(16)2)8-11-20(12-9-17)10-7-13-3-5-14(18)6-4-13/h3-6,22H,7-12H2,1-2H3
InChIKeyUGXBRFVWHZKUSR-UHFFFAOYSA-N
MW322.38 g/mol
LogP1.99
Rot. Bonds3

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

8-[2-(4-fluorophenyl)ethyl]-4-hydroxy-3,4-dimethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 3077295) has the molecular formula C17H23FN2O3 and a molecular weight of 322.38 g/mol. Its IUPAC name is 8-[2-(4-fluorophenyl)ethyl]-4-hydroxy-3,4-dimethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[2-(4-fluorophenyl)ethyl]-4-hydroxy-3,4-dimethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID3077295
Molecular FormulaC17H23FN2O3
Molecular Weight322.38 g/mol
Exact Mass322.17
IUPAC Name8-[2-(4-fluorophenyl)ethyl]-4-hydroxy-3,4-dimethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCN1C(=O)OC2(CCN(CCc3ccc(F)cc3)CC2)C1(C)O
InChIInChI=1S/C17H23FN2O3/c1-16(22)17(23-15(21)19(16)2)8-11-20(12-9-17)10-7-13-3-5-14(18)6-4-13/h3-6,22H,7-12H2,1-2H3
InChIKeyUGXBRFVWHZKUSR-UHFFFAOYSA-N
XLogP1.99
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(4-fluorophenyl)ethyl]-4-hydroxy-3,4-dimethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[2-(4-fluorophenyl)ethyl]-4-hydroxy-3,4-dimethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 3077295) is 8-[2-(4-fluorophenyl)ethyl]-4-hydroxy-3,4-dimethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[2-(4-fluorophenyl)ethyl]-4-hydroxy-3,4-dimethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[2-(4-fluorophenyl)ethyl]-4-hydroxy-3,4-dimethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CN1C(=O)OC2(CCN(CCc3ccc(F)cc3)CC2)C1(C)O.
What is the InChIKey of 8-[2-(4-fluorophenyl)ethyl]-4-hydroxy-3,4-dimethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is UGXBRFVWHZKUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O3/c1-16(22)17(23-15(21)19(16)2)8-11-20(12-9-17)10-7-13-3-5-14(18)6-4-13/h3-6,22H,7-12H2,1-2H3.
What are the key properties of 8-[2-(4-fluorophenyl)ethyl]-4-hydroxy-3,4-dimethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-[2-(4-fluorophenyl)ethyl]-4-hydroxy-3,4-dimethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 322.38 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(4-fluorophenyl)ethyl]-4-hydroxy-3,4-dimethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 3077295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).