5-(4-fluoro-2-hydroxyphenyl)-3,9-diazaspiro[5.5]undecan-2-one

C15H19FN2O2 — CID 147859775

IUPAC5-(4-fluoro-2-hydroxyphenyl)-3,9-diazaspiro[5.5]undecan-2-one
SMILESO=C1CC2(CCNCC2)C(c2ccc(F)cc2O)CN1
InChIInChI=1S/C15H19FN2O2/c16-10-1-2-11(13(19)7-10)12-9-18-14(20)8-15(12)3-5-17-6-4-15/h1-2,7,12,17,19H,3-6,8-9H2,(H,18,20)
InChIKeyHWLKUNJWNJRMKK-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.50
Rot. Bonds1

About 5-(4-fluoro-2-hydroxyphenyl)-3,9-diazaspiro[5.5]undecan-2-one

5-(4-fluoro-2-hydroxyphenyl)-3,9-diazaspiro[5.5]undecan-2-one (PubChem CID 147859775) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is 5-(4-fluoro-2-hydroxyphenyl)-3,9-diazaspiro[5.5]undecan-2-one.

Molecular Properties

Compound Name5-(4-fluoro-2-hydroxyphenyl)-3,9-diazaspiro[5.5]undecan-2-one
PubChem CID147859775
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name5-(4-fluoro-2-hydroxyphenyl)-3,9-diazaspiro[5.5]undecan-2-one
SMILESO=C1CC2(CCNCC2)C(c2ccc(F)cc2O)CN1
InChIInChI=1S/C15H19FN2O2/c16-10-1-2-11(13(19)7-10)12-9-18-14(20)8-15(12)3-5-17-6-4-15/h1-2,7,12,17,19H,3-6,8-9H2,(H,18,20)
InChIKeyHWLKUNJWNJRMKK-UHFFFAOYSA-N
XLogP1.50
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-2-hydroxyphenyl)-3,9-diazaspiro[5.5]undecan-2-one?
The IUPAC name of 5-(4-fluoro-2-hydroxyphenyl)-3,9-diazaspiro[5.5]undecan-2-one (CID 147859775) is 5-(4-fluoro-2-hydroxyphenyl)-3,9-diazaspiro[5.5]undecan-2-one.
What is the SMILES notation for 5-(4-fluoro-2-hydroxyphenyl)-3,9-diazaspiro[5.5]undecan-2-one?
The canonical SMILES for 5-(4-fluoro-2-hydroxyphenyl)-3,9-diazaspiro[5.5]undecan-2-one is O=C1CC2(CCNCC2)C(c2ccc(F)cc2O)CN1.
What is the InChIKey of 5-(4-fluoro-2-hydroxyphenyl)-3,9-diazaspiro[5.5]undecan-2-one?
The InChIKey is HWLKUNJWNJRMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c16-10-1-2-11(13(19)7-10)12-9-18-14(20)8-15(12)3-5-17-6-4-15/h1-2,7,12,17,19H,3-6,8-9H2,(H,18,20).
What are the key properties of 5-(4-fluoro-2-hydroxyphenyl)-3,9-diazaspiro[5.5]undecan-2-one?
5-(4-fluoro-2-hydroxyphenyl)-3,9-diazaspiro[5.5]undecan-2-one has a molecular weight of 278.33 g/mol, XLogP of 1.50, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-2-hydroxyphenyl)-3,9-diazaspiro[5.5]undecan-2-one is sourced from PubChem (CID 147859775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).