[4-(4-fluorophenyl)piperazin-1-yl]-phenoxazin-10-ylmethanone

C23H20FN3O2 — CID 134275505

IUPAC[4-(4-fluorophenyl)piperazin-1-yl]-phenoxazin-10-ylmethanone
SMILESO=C(N1CCN(c2ccc(F)cc2)CC1)N1c2ccccc2Oc2ccccc21
InChIInChI=1S/C23H20FN3O2/c24-17-9-11-18(12-10-17)25-13-15-26(16-14-25)23(28)27-19-5-1-3-7-21(19)29-22-8-4-2-6-20(22)27/h1-12H,13-16H2
InChIKeyIIVUUEIPBMKGQE-UHFFFAOYSA-N
MW389.43 g/mol
LogP5.01
Rot. Bonds1

About [4-(4-fluorophenyl)piperazin-1-yl]-phenoxazin-10-ylmethanone

[4-(4-fluorophenyl)piperazin-1-yl]-phenoxazin-10-ylmethanone (PubChem CID 134275505) has the molecular formula C23H20FN3O2 and a molecular weight of 389.43 g/mol. Its IUPAC name is [4-(4-fluorophenyl)piperazin-1-yl]-phenoxazin-10-ylmethanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)piperazin-1-yl]-phenoxazin-10-ylmethanone
PubChem CID134275505
Molecular FormulaC23H20FN3O2
Molecular Weight389.43 g/mol
Exact Mass389.15
IUPAC Name[4-(4-fluorophenyl)piperazin-1-yl]-phenoxazin-10-ylmethanone
SMILESO=C(N1CCN(c2ccc(F)cc2)CC1)N1c2ccccc2Oc2ccccc21
InChIInChI=1S/C23H20FN3O2/c24-17-9-11-18(12-10-17)25-13-15-26(16-14-25)23(28)27-19-5-1-3-7-21(19)29-22-8-4-2-6-20(22)27/h1-12H,13-16H2
InChIKeyIIVUUEIPBMKGQE-UHFFFAOYSA-N
XLogP5.01
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.43
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]-phenoxazin-10-ylmethanone
CID 134275489
2-[(4-fluorophenyl)methylidene]-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,4-benzoxazin-3-one
CID 4102185
(2-fluorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 798980
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-morpholin-4-ylanilino)ethanone
CID 109002262
4-(4-fluorophenyl)-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-4-carboxylic acid
CID 59527745
4-(4-fluorophenyl)-N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]piperazine-1-carboxamide
CID 1179238
3,4-dihydro-2H-chromen-3-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 22578090
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(2-fluorophenyl)piperidin-4-yl]methanone
CID 17152590
1-(4-acetylpiperazin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethane-1,2-dione
CID 108508298
2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-methyl-4H-1,4-benzoxazin-3-one
CID 75768195
[4-(4-methoxyphenyl)piperazin-1-yl]-phenothiazin-10-ylmethanone
CID 982285
[4-(4-fluorophenyl)piperazin-1-yl]-(1-phenylpiperidin-4-yl)methanone
CID 17152277

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-phenoxazin-10-ylmethanone?
The IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-phenoxazin-10-ylmethanone (CID 134275505) is [4-(4-fluorophenyl)piperazin-1-yl]-phenoxazin-10-ylmethanone.
What is the SMILES notation for [4-(4-fluorophenyl)piperazin-1-yl]-phenoxazin-10-ylmethanone?
The canonical SMILES for [4-(4-fluorophenyl)piperazin-1-yl]-phenoxazin-10-ylmethanone is O=C(N1CCN(c2ccc(F)cc2)CC1)N1c2ccccc2Oc2ccccc21.
What is the InChIKey of [4-(4-fluorophenyl)piperazin-1-yl]-phenoxazin-10-ylmethanone?
The InChIKey is IIVUUEIPBMKGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O2/c24-17-9-11-18(12-10-17)25-13-15-26(16-14-25)23(28)27-19-5-1-3-7-21(19)29-22-8-4-2-6-20(22)27/h1-12H,13-16H2.
What are the key properties of [4-(4-fluorophenyl)piperazin-1-yl]-phenoxazin-10-ylmethanone?
[4-(4-fluorophenyl)piperazin-1-yl]-phenoxazin-10-ylmethanone has a molecular weight of 389.43 g/mol, XLogP of 5.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)piperazin-1-yl]-phenoxazin-10-ylmethanone is sourced from PubChem (CID 134275505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).