[3-[(2-fluorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl] hydrogen carbonate

C15H17FN2O5 — CID 90706494

IUPAC[3-[(2-fluorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl] hydrogen carbonate
SMILESO=C(O)ON1CCC2(CC1)CN(Cc1ccccc1F)C(=O)O2
InChIInChI=1S/C15H17FN2O5/c16-12-4-2-1-3-11(12)9-17-10-15(22-13(17)19)5-7-18(8-6-15)23-14(20)21/h1-4H,5-10H2,(H,20,21)
InChIKeyHXWQPUQXMBZYBF-UHFFFAOYSA-N
MW324.31 g/mol
LogP2.22
Rot. Bonds3

About [3-[(2-fluorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl] hydrogen carbonate

[3-[(2-fluorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl] hydrogen carbonate (PubChem CID 90706494) has the molecular formula C15H17FN2O5 and a molecular weight of 324.31 g/mol. Its IUPAC name is [3-[(2-fluorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl] hydrogen carbonate.

Molecular Properties

Compound Name[3-[(2-fluorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl] hydrogen carbonate
PubChem CID90706494
Molecular FormulaC15H17FN2O5
Molecular Weight324.31 g/mol
Exact Mass324.11
IUPAC Name[3-[(2-fluorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl] hydrogen carbonate
SMILESO=C(O)ON1CCC2(CC1)CN(Cc1ccccc1F)C(=O)O2
InChIInChI=1S/C15H17FN2O5/c16-12-4-2-1-3-11(12)9-17-10-15(22-13(17)19)5-7-18(8-6-15)23-14(20)21/h1-4H,5-10H2,(H,20,21)
InChIKeyHXWQPUQXMBZYBF-UHFFFAOYSA-N
XLogP2.22
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[(2-fluorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl] hydrogen carbonate?
The IUPAC name of [3-[(2-fluorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl] hydrogen carbonate (CID 90706494) is [3-[(2-fluorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl] hydrogen carbonate.
What is the SMILES notation for [3-[(2-fluorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl] hydrogen carbonate?
The canonical SMILES for [3-[(2-fluorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl] hydrogen carbonate is O=C(O)ON1CCC2(CC1)CN(Cc1ccccc1F)C(=O)O2.
What is the InChIKey of [3-[(2-fluorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl] hydrogen carbonate?
The InChIKey is HXWQPUQXMBZYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O5/c16-12-4-2-1-3-11(12)9-17-10-15(22-13(17)19)5-7-18(8-6-15)23-14(20)21/h1-4H,5-10H2,(H,20,21).
What are the key properties of [3-[(2-fluorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl] hydrogen carbonate?
[3-[(2-fluorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl] hydrogen carbonate has a molecular weight of 324.31 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-fluorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl] hydrogen carbonate is sourced from PubChem (CID 90706494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).