9-[(4-fluorophenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C15H19FN2O2 — CID 97471358

IUPAC9-[(4-fluorophenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1COC2(CCN(Cc3ccc(F)cc3)CC2)CN1
InChIInChI=1S/C15H19FN2O2/c16-13-3-1-12(2-4-13)9-18-7-5-15(6-8-18)11-17-14(19)10-20-15/h1-4H,5-11H2,(H,17,19)
InChIKeyCXXLSXSYHOYHAT-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.31
Rot. Bonds2

About 9-[(4-fluorophenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

9-[(4-fluorophenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97471358) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is 9-[(4-fluorophenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-[(4-fluorophenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID97471358
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name9-[(4-fluorophenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1COC2(CCN(Cc3ccc(F)cc3)CC2)CN1
InChIInChI=1S/C15H19FN2O2/c16-13-3-1-12(2-4-13)9-18-7-5-15(6-8-18)11-17-14(19)10-20-15/h1-4H,5-11H2,(H,17,19)
InChIKeyCXXLSXSYHOYHAT-UHFFFAOYSA-N
XLogP1.31
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-[(4-fluorophenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-[(4-fluorophenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 97471358) is 9-[(4-fluorophenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-[(4-fluorophenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-[(4-fluorophenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is O=C1COC2(CCN(Cc3ccc(F)cc3)CC2)CN1.
What is the InChIKey of 9-[(4-fluorophenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is CXXLSXSYHOYHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c16-13-3-1-12(2-4-13)9-18-7-5-15(6-8-18)11-17-14(19)10-20-15/h1-4H,5-11H2,(H,17,19).
What are the key properties of 9-[(4-fluorophenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
9-[(4-fluorophenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 278.33 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4-fluorophenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97471358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).