N-[4-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]oxy]cyclohexyl]-4-nitroso-3-(trifluoromethyl)aniline

C24H30F3N5O2 — CID 122430738

IUPACN-[4-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]oxy]cyclohexyl]-4-nitroso-3-(trifluoromethyl)aniline
SMILESCCN1CCN(c2cc(OC3CCC(Nc4ccc(N=O)c(C(F)(F)F)c4)CC3)ccn2)CC1
InChIInChI=1S/C24H30F3N5O2/c1-2-31-11-13-32(14-12-31)23-16-20(9-10-28-23)34-19-6-3-17(4-7-19)29-18-5-8-22(30-33)21(15-18)24(25,26)27/h5,8-10,15-17,19,29H,2-4,6-7,11-14H2,1H3
InChIKeyFGBPWVXGLHKMRE-UHFFFAOYSA-N
MW477.53 g/mol
LogP5.44
Rot. Bonds7

About N-[4-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]oxy]cyclohexyl]-4-nitroso-3-(trifluoromethyl)aniline

N-[4-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]oxy]cyclohexyl]-4-nitroso-3-(trifluoromethyl)aniline (PubChem CID 122430738) has the molecular formula C24H30F3N5O2 and a molecular weight of 477.53 g/mol. Its IUPAC name is N-[4-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]oxy]cyclohexyl]-4-nitroso-3-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[4-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]oxy]cyclohexyl]-4-nitroso-3-(trifluoromethyl)aniline
PubChem CID122430738
Molecular FormulaC24H30F3N5O2
Molecular Weight477.53 g/mol
Exact Mass477.24
IUPAC NameN-[4-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]oxy]cyclohexyl]-4-nitroso-3-(trifluoromethyl)aniline
SMILESCCN1CCN(c2cc(OC3CCC(Nc4ccc(N=O)c(C(F)(F)F)c4)CC3)ccn2)CC1
InChIInChI=1S/C24H30F3N5O2/c1-2-31-11-13-32(14-12-31)23-16-20(9-10-28-23)34-19-6-3-17(4-7-19)29-18-5-8-22(30-33)21(15-18)24(25,26)27/h5,8-10,15-17,19,29H,2-4,6-7,11-14H2,1H3
InChIKeyFGBPWVXGLHKMRE-UHFFFAOYSA-N
XLogP5.44
TPSA70.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.53
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]oxy]cyclohexyl]-4-nitroso-3-(trifluoromethyl)aniline with MolForge

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Related Compounds

4-nitro-N-[4-[[2-(4-propylpiperazin-1-yl)-4-pyridinyl]oxy]cyclohexyl]-3-(trifluoromethyl)aniline
CID 134166861
4-nitro-3-(trifluoromethyl)-N-[4-[[2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-4-pyridinyl]oxy]cyclohexyl]aniline
CID 134166845
methyl 4-[4-[4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexyl]oxy-2-pyridinyl]piperazine-1-carboxylate
CID 134166858
4-[4-[4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexyl]oxy-2-pyridinyl]piperazine-1-carboxylic acid
CID 122423610
3-ethoxy-1-[4-[4-[4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexyl]oxy-2-pyridinyl]piperazin-1-yl]propan-1-one
CID 134166854
N-[4-[[2-[4-[5-(1,1-difluoroethyl)-2-pyridinyl]piperazin-1-yl]-4-pyridinyl]oxy]cyclohexyl]-4-(trifluoromethylsulfonyl)aniline
CID 166751762
2-[4-[4-nitroso-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone
CID 147284006
1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-[4-nitroso-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone
CID 88983886
N-[4-[[5-[4-(2,2-dimethylpropyl)piperazin-1-yl]-3-pyridinyl]oxy]cyclohexyl]-4-nitro-3-(trifluoromethyl)aniline
CID 134166842
1-[4-[4-(4-methylphenyl)piperazin-1-yl]-2-pyridinyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-4-amine
CID 122527262
4-[4-(4-fluorophenyl)piperazin-1-yl]-1-[4-[4-nitroso-3-(trifluoromethyl)anilino]piperidin-1-yl]butan-1-one
CID 88872885
1-ethyl-N-[4-nitro-3-(trifluoromethyl)phenyl]piperidin-4-amine
CID 91028767

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]oxy]cyclohexyl]-4-nitroso-3-(trifluoromethyl)aniline?
The IUPAC name of N-[4-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]oxy]cyclohexyl]-4-nitroso-3-(trifluoromethyl)aniline (CID 122430738) is N-[4-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]oxy]cyclohexyl]-4-nitroso-3-(trifluoromethyl)aniline.
What is the SMILES notation for N-[4-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]oxy]cyclohexyl]-4-nitroso-3-(trifluoromethyl)aniline?
The canonical SMILES for N-[4-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]oxy]cyclohexyl]-4-nitroso-3-(trifluoromethyl)aniline is CCN1CCN(c2cc(OC3CCC(Nc4ccc(N=O)c(C(F)(F)F)c4)CC3)ccn2)CC1.
What is the InChIKey of N-[4-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]oxy]cyclohexyl]-4-nitroso-3-(trifluoromethyl)aniline?
The InChIKey is FGBPWVXGLHKMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F3N5O2/c1-2-31-11-13-32(14-12-31)23-16-20(9-10-28-23)34-19-6-3-17(4-7-19)29-18-5-8-22(30-33)21(15-18)24(25,26)27/h5,8-10,15-17,19,29H,2-4,6-7,11-14H2,1H3.
What are the key properties of N-[4-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]oxy]cyclohexyl]-4-nitroso-3-(trifluoromethyl)aniline?
N-[4-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]oxy]cyclohexyl]-4-nitroso-3-(trifluoromethyl)aniline has a molecular weight of 477.53 g/mol, XLogP of 5.44, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]oxy]cyclohexyl]-4-nitroso-3-(trifluoromethyl)aniline is sourced from PubChem (CID 122430738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).