2-(5-fluoro-2-pyridinyl)-1-(3-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)ethanone

C15H19FN2O2 — CID 131683888

IUPAC2-(5-fluoro-2-pyridinyl)-1-(3-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)ethanone
SMILESCC1COC2(CCN(C(=O)Cc3ccc(F)cn3)C2)C1
InChIInChI=1S/C15H19FN2O2/c1-11-7-15(20-9-11)4-5-18(10-15)14(19)6-13-3-2-12(16)8-17-13/h2-3,8,11H,4-7,9-10H2,1H3
InChIKeyVURIPDDBXNRZIP-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.79
Rot. Bonds2

About 2-(5-fluoro-2-pyridinyl)-1-(3-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)ethanone

2-(5-fluoro-2-pyridinyl)-1-(3-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)ethanone (PubChem CID 131683888) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is 2-(5-fluoro-2-pyridinyl)-1-(3-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)ethanone.

Molecular Properties

Compound Name2-(5-fluoro-2-pyridinyl)-1-(3-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)ethanone
PubChem CID131683888
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name2-(5-fluoro-2-pyridinyl)-1-(3-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)ethanone
SMILESCC1COC2(CCN(C(=O)Cc3ccc(F)cn3)C2)C1
InChIInChI=1S/C15H19FN2O2/c1-11-7-15(20-9-11)4-5-18(10-15)14(19)6-13-3-2-12(16)8-17-13/h2-3,8,11H,4-7,9-10H2,1H3
InChIKeyVURIPDDBXNRZIP-UHFFFAOYSA-N
XLogP1.79
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-pyridinyl)-1-(3-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)ethanone?
The IUPAC name of 2-(5-fluoro-2-pyridinyl)-1-(3-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)ethanone (CID 131683888) is 2-(5-fluoro-2-pyridinyl)-1-(3-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)ethanone.
What is the SMILES notation for 2-(5-fluoro-2-pyridinyl)-1-(3-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)ethanone?
The canonical SMILES for 2-(5-fluoro-2-pyridinyl)-1-(3-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)ethanone is CC1COC2(CCN(C(=O)Cc3ccc(F)cn3)C2)C1.
What is the InChIKey of 2-(5-fluoro-2-pyridinyl)-1-(3-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)ethanone?
The InChIKey is VURIPDDBXNRZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-11-7-15(20-9-11)4-5-18(10-15)14(19)6-13-3-2-12(16)8-17-13/h2-3,8,11H,4-7,9-10H2,1H3.
What are the key properties of 2-(5-fluoro-2-pyridinyl)-1-(3-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)ethanone?
2-(5-fluoro-2-pyridinyl)-1-(3-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)ethanone has a molecular weight of 278.33 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-pyridinyl)-1-(3-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)ethanone is sourced from PubChem (CID 131683888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).