2-(4-fluorophenyl)-1-[(8R)-8-(pyridin-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone

C21H23FN2O3 — CID 124796836

About 2-(4-fluorophenyl)-1-[(8R)-8-(pyridin-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone

2-(4-fluorophenyl)-1-[(8R)-8-(pyridin-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone (PubChem CID 124796836) has the molecular formula C21H23FN2O3 and a molecular weight of 370.42 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[(8R)-8-(pyridin-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone.

Molecular Properties

• Compound Name: 2-(4-fluorophenyl)-1-[(8R)-8-(pyridin-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone
• PubChem CID: 124796836
• Molecular Formula: C21H23FN2O3
• Molecular Weight: 370.42 g/mol
• Exact Mass: 370.17
• IUPAC Name: 2-(4-fluorophenyl)-1-[(8R)-8-(pyridin-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone
• SMILES: O=C(Cc1ccc(F)cc1)N1CC2(C1)OCC[C@@H]2COCc1ccncc1
• InChI: InChI=1S/C21H23FN2O3/c22-19-3-1-16(2-4-19)11-20(25)24-14-21(15-24)18(7-10-27-21)13-26-12-17-5-8-23-9-6-17/h1-6,8-9,18H,7,10-15H2/t18-/m1/s1
• InChIKey: ZAUYFSIJYUATKC-GOSISDBHSA-N
• XLogP: 2.60
• TPSA: 51.66 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.42
LogP ≤ 5	2.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[(8R)-8-(pyridin-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone?

The IUPAC name of 2-(4-fluorophenyl)-1-[(8R)-8-(pyridin-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone (CID 124796836) is 2-(4-fluorophenyl)-1-[(8R)-8-(pyridin-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone.

What is the SMILES notation for 2-(4-fluorophenyl)-1-[(8R)-8-(pyridin-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone?

The canonical SMILES for 2-(4-fluorophenyl)-1-[(8R)-8-(pyridin-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone is O=C(Cc1ccc(F)cc1)N1CC2(C1)OCC[C@@H]2COCc1ccncc1.

What is the InChIKey of 2-(4-fluorophenyl)-1-[(8R)-8-(pyridin-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone?

The InChIKey is ZAUYFSIJYUATKC-GOSISDBHSA-N. The full InChI is InChI=1S/C21H23FN2O3/c22-19-3-1-16(2-4-19)11-20(25)24-14-21(15-24)18(7-10-27-21)13-26-12-17-5-8-23-9-6-17/h1-6,8-9,18H,7,10-15H2/t18-/m1/s1.

What are the key properties of 2-(4-fluorophenyl)-1-[(8R)-8-(pyridin-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone?

2-(4-fluorophenyl)-1-[(8R)-8-(pyridin-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone has a molecular weight of 370.42 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-fluorophenyl)-1-[(8R)-8-(pyridin-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone is sourced from PubChem (CID 124796836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).