4-(3-fluorophenyl)-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane

C18H21FN4O — CID 118739217

IUPAC4-(3-fluorophenyl)-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
SMILESFc1cccc(N2CCOC3(CCCN(c4cnccn4)C3)C2)c1
InChIInChI=1S/C18H21FN4O/c19-15-3-1-4-16(11-15)22-9-10-24-18(13-22)5-2-8-23(14-18)17-12-20-6-7-21-17/h1,3-4,6-7,11-12H,2,5,8-10,13-14H2
InChIKeyJEYOXGQIRBVRFM-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.49
Rot. Bonds2

About 4-(3-fluorophenyl)-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane

4-(3-fluorophenyl)-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane (PubChem CID 118739217) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-(3-fluorophenyl)-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
PubChem CID118739217
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC Name4-(3-fluorophenyl)-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
SMILESFc1cccc(N2CCOC3(CCCN(c4cnccn4)C3)C2)c1
InChIInChI=1S/C18H21FN4O/c19-15-3-1-4-16(11-15)22-9-10-24-18(13-22)5-2-8-23(14-18)17-12-20-6-7-21-17/h1,3-4,6-7,11-12H,2,5,8-10,13-14H2
InChIKeyJEYOXGQIRBVRFM-UHFFFAOYSA-N
XLogP2.49
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-Benzyl-2-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]morpholine
CID 2810101
2-Ethoxy-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrazine
CID 71847347
9-[(4-Fluorophenyl)methyl]-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 97450933
4-Pyridin-2-yl-9-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 97450934
8-(3-Fluorophenyl)-4-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 118739212
4-(3-Fluorophenyl)-8-pyrazin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 118740877
8-(3-Fluorophenyl)-4-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 118746447
3-(1-Phenylimidazol-2-yl)oxy-1-azabicyclo[2.2.2]octane
CID 44214883
4-[6-(3-Fluoro-6-methyl-2-pyridinyl)pyrazin-2-yl]morpholine
CID 155935990
4-[5-Fluoro-4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 886587
8-(3-Fluorophenyl)-4-[(3-methylimidazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane
CID 131660812
4-[1-(4-Fluorophenyl)-5-morpholin-4-ylimidazol-2-yl]morpholine
CID 12624032

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane?
The IUPAC name of 4-(3-fluorophenyl)-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane (CID 118739217) is 4-(3-fluorophenyl)-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-(3-fluorophenyl)-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane?
The canonical SMILES for 4-(3-fluorophenyl)-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane is Fc1cccc(N2CCOC3(CCCN(c4cnccn4)C3)C2)c1.
What is the InChIKey of 4-(3-fluorophenyl)-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane?
The InChIKey is JEYOXGQIRBVRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O/c19-15-3-1-4-16(11-15)22-9-10-24-18(13-22)5-2-8-23(14-18)17-12-20-6-7-21-17/h1,3-4,6-7,11-12H,2,5,8-10,13-14H2.
What are the key properties of 4-(3-fluorophenyl)-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane?
4-(3-fluorophenyl)-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane has a molecular weight of 328.39 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane is sourced from PubChem (CID 118739217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).