2-[(4-fluorophenyl)methyl]-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane

C18H20FN3O2 — CID 131657327

IUPAC2-[(4-fluorophenyl)methyl]-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane
SMILESFc1ccc(CN2CC3(CC(Oc4cnccn4)CCO3)C2)cc1
InChIInChI=1S/C18H20FN3O2/c19-15-3-1-14(2-4-15)11-22-12-18(13-22)9-16(5-8-23-18)24-17-10-20-6-7-21-17/h1-4,6-7,10,16H,5,8-9,11-13H2
InChIKeyKTWLCLQODIDAHZ-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.43
Rot. Bonds4

About 2-[(4-fluorophenyl)methyl]-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane

2-[(4-fluorophenyl)methyl]-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane (PubChem CID 131657327) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane
PubChem CID131657327
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name2-[(4-fluorophenyl)methyl]-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane
SMILESFc1ccc(CN2CC3(CC(Oc4cnccn4)CCO3)C2)cc1
InChIInChI=1S/C18H20FN3O2/c19-15-3-1-14(2-4-15)11-22-12-18(13-22)9-16(5-8-23-18)24-17-10-20-6-7-21-17/h1-4,6-7,10,16H,5,8-9,11-13H2
InChIKeyKTWLCLQODIDAHZ-UHFFFAOYSA-N
XLogP2.43
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(8R)-2-[(5-methylfuran-2-yl)methyl]-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane
CID 124817051
(8R)-8-pyrazin-2-yloxy-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane
CID 124911109
(8S)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane
CID 124803732
8-pyrazin-2-yloxy-2-(quinolin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane;bis(2,2,2-trifluoroacetic acid)
CID 155830651
2-[(4-methyl-1,3-thiazol-5-yl)methyl]-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane;bis(2,2,2-trifluoroacetic acid)
CID 155851906
2-benzyl-8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonane
CID 131653629
2-[(4-methyl-1,3-thiazol-2-yl)methyl]-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane;bis(2,2,2-trifluoroacetic acid)
CID 155847642
2-[(4-fluorophenyl)methyl]-8-methoxy-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
CID 155869013
(1-ethylpiperidin-4-yl)-[(8R)-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124830917
(8S)-2-(4-methylphenyl)sulfonyl-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane
CID 124811015
(8S)-2-[(1-propan-2-ylpyrazol-4-yl)methyl]-8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonane
CID 124809470
1,3-oxazol-4-yl-(8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone
CID 133139925

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane (CID 131657327) is 2-[(4-fluorophenyl)methyl]-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane is Fc1ccc(CN2CC3(CC(Oc4cnccn4)CCO3)C2)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane?
The InChIKey is KTWLCLQODIDAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2/c19-15-3-1-14(2-4-15)11-22-12-18(13-22)9-16(5-8-23-18)24-17-10-20-6-7-21-17/h1-4,6-7,10,16H,5,8-9,11-13H2.
What are the key properties of 2-[(4-fluorophenyl)methyl]-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane?
2-[(4-fluorophenyl)methyl]-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane has a molecular weight of 329.38 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 131657327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).