[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]-phenoxazin-10-ylmethanone

C23H16F5N3O2 — CID 134275489

IUPAC[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]-phenoxazin-10-ylmethanone
SMILESO=C(N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1)N1c2ccccc2Oc2ccccc21
InChIInChI=1S/C23H16F5N3O2/c24-17-18(25)20(27)22(21(28)19(17)26)29-9-11-30(12-10-29)23(32)31-13-5-1-3-7-15(13)33-16-8-4-2-6-14(16)31/h1-8H,9-12H2
InChIKeySPNUWRHSRATEQQ-UHFFFAOYSA-N
MW461.39 g/mol
LogP5.57
Rot. Bonds1

About [4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]-phenoxazin-10-ylmethanone

[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]-phenoxazin-10-ylmethanone (PubChem CID 134275489) has the molecular formula C23H16F5N3O2 and a molecular weight of 461.39 g/mol. Its IUPAC name is [4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]-phenoxazin-10-ylmethanone.

Molecular Properties

Compound Name[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]-phenoxazin-10-ylmethanone
PubChem CID134275489
Molecular FormulaC23H16F5N3O2
Molecular Weight461.39 g/mol
Exact Mass461.12
IUPAC Name[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]-phenoxazin-10-ylmethanone
SMILESO=C(N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1)N1c2ccccc2Oc2ccccc21
InChIInChI=1S/C23H16F5N3O2/c24-17-18(25)20(27)22(21(28)19(17)26)29-9-11-30(12-10-29)23(32)31-13-5-1-3-7-15(13)33-16-8-4-2-6-14(16)31/h1-8H,9-12H2
InChIKeySPNUWRHSRATEQQ-UHFFFAOYSA-N
XLogP5.57
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.39
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

[4-(4-fluorophenyl)piperazin-1-yl]-phenoxazin-10-ylmethanone
CID 134275505
1-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]-2,2-diphenylethanone
CID 17110283
(2-iodophenyl)-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]methanone
CID 17116509
phenothiazin-10-yl-(4-phenylpiperazin-1-yl)methanone
CID 1313122
2,2-dichloro-1-phenoxazin-10-ylethanone
CID 127028950
N-[4-(2,3,4,5,6-pentafluorophenyl)piperazine-1-carbothioyl]-2,2-diphenylacetamide
CID 3763434
2-iodo-N-[4-(2,3,4,5,6-pentafluorophenyl)piperazine-1-carbothioyl]benzamide
CID 17314165
4-phenyl-1-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]butan-1-one
CID 133371959
4-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]butan-1-one
CID 22692254
4-(2-fluorophenyl)-N,N-dimethylpiperazine-1-carboxamide
CID 3757399
[4-(2-methylsulfanylphenyl)piperazin-1-yl]-piperazin-1-ylmethanone
CID 143176382
2,2,2-trifluoro-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone
CID 62491643

Frequently Asked Questions

What is the IUPAC name of [4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]-phenoxazin-10-ylmethanone?
The IUPAC name of [4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]-phenoxazin-10-ylmethanone (CID 134275489) is [4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]-phenoxazin-10-ylmethanone.
What is the SMILES notation for [4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]-phenoxazin-10-ylmethanone?
The canonical SMILES for [4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]-phenoxazin-10-ylmethanone is O=C(N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1)N1c2ccccc2Oc2ccccc21.
What is the InChIKey of [4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]-phenoxazin-10-ylmethanone?
The InChIKey is SPNUWRHSRATEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F5N3O2/c24-17-18(25)20(27)22(21(28)19(17)26)29-9-11-30(12-10-29)23(32)31-13-5-1-3-7-15(13)33-16-8-4-2-6-14(16)31/h1-8H,9-12H2.
What are the key properties of [4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]-phenoxazin-10-ylmethanone?
[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]-phenoxazin-10-ylmethanone has a molecular weight of 461.39 g/mol, XLogP of 5.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]-phenoxazin-10-ylmethanone is sourced from PubChem (CID 134275489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).