N-[4-[2-[4-(3-acetylphenyl)piperazin-1-yl]ethyl]cyclohexylidene]-3,3,3-trifluoropropanamide

C23H30F3N3O2 — CID 149389344

IUPACN-[4-[2-[4-(3-acetylphenyl)piperazin-1-yl]ethyl]cyclohexylidene]-3,3,3-trifluoropropanamide
SMILESCC(=O)c1cccc(N2CCN(CCC3CCC(=NC(=O)CC(F)(F)F)CC3)CC2)c1
InChIInChI=1S/C23H30F3N3O2/c1-17(30)19-3-2-4-21(15-19)29-13-11-28(12-14-29)10-9-18-5-7-20(8-6-18)27-22(31)16-23(24,25)26/h2-4,15,18H,5-14,16H2,1H3/b27-20-
InChIKeyYNFIFYLCNWAOHE-OOAXWGSJSA-N
MW437.51 g/mol
LogP4.51
Rot. Bonds6

About N-[4-[2-[4-(3-acetylphenyl)piperazin-1-yl]ethyl]cyclohexylidene]-3,3,3-trifluoropropanamide

N-[4-[2-[4-(3-acetylphenyl)piperazin-1-yl]ethyl]cyclohexylidene]-3,3,3-trifluoropropanamide (PubChem CID 149389344) has the molecular formula C23H30F3N3O2 and a molecular weight of 437.51 g/mol. Its IUPAC name is N-[4-[2-[4-(3-acetylphenyl)piperazin-1-yl]ethyl]cyclohexylidene]-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-[4-[2-[4-(3-acetylphenyl)piperazin-1-yl]ethyl]cyclohexylidene]-3,3,3-trifluoropropanamide
PubChem CID149389344
Molecular FormulaC23H30F3N3O2
Molecular Weight437.51 g/mol
Exact Mass437.23
IUPAC NameN-[4-[2-[4-(3-acetylphenyl)piperazin-1-yl]ethyl]cyclohexylidene]-3,3,3-trifluoropropanamide
SMILESCC(=O)c1cccc(N2CCN(CCC3CCC(=NC(=O)CC(F)(F)F)CC3)CC2)c1
InChIInChI=1S/C23H30F3N3O2/c1-17(30)19-3-2-4-21(15-19)29-13-11-28(12-14-29)10-9-18-5-7-20(8-6-18)27-22(31)16-23(24,25)26/h2-4,15,18H,5-14,16H2,1H3/b27-20-
InChIKeyYNFIFYLCNWAOHE-OOAXWGSJSA-N
XLogP4.51
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.51
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3,3,3-trifluoro-N-[4-[2-[4-(3-fluorophenyl)piperazin-1-yl]ethyl]cyclohexylidene]propanamide
CID 162564557
1-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]ethanone
CID 157343351
4-[4-[2-[4-[3-(2,2,2-trifluoroethyl)phenyl]piperazin-1-yl]ethyl]piperidin-1-yl]butan-2-one
CID 142781297
1-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexen-1-yl]propan-2-one
CID 90968924
1-[3-(3-fluoropyrrolidin-1-yl)phenyl]ethanone
CID 115025139
1-(2-cyclohexylethyl)-4-(3-methylphenyl)piperazine
CID 173113720
4-amino-N-[4-[2-[4-(3-propanoylphenyl)piperazin-1-yl]ethyl]cyclohexyl]butanamide
CID 70956348
3-[4-[2-[4-(4-methoxybutylamino)cyclohexyl]ethyl]piperazin-1-yl]benzamide
CID 68811711
2-methoxy-2-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]acetamide
CID 142781291
2-ethoxy-1-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]piperidin-1-yl]ethanone
CID 24780925
1-[3-(3,4,5-trimethylpiperazin-1-yl)phenyl]ethanone
CID 76702888
4-[2-[4-[3-(hydroxymethyl)phenyl]piperazin-1-yl]ethyl]piperidine-1-carboxylic acid
CID 141198646

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(3-acetylphenyl)piperazin-1-yl]ethyl]cyclohexylidene]-3,3,3-trifluoropropanamide?
The IUPAC name of N-[4-[2-[4-(3-acetylphenyl)piperazin-1-yl]ethyl]cyclohexylidene]-3,3,3-trifluoropropanamide (CID 149389344) is N-[4-[2-[4-(3-acetylphenyl)piperazin-1-yl]ethyl]cyclohexylidene]-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-[4-[2-[4-(3-acetylphenyl)piperazin-1-yl]ethyl]cyclohexylidene]-3,3,3-trifluoropropanamide?
The canonical SMILES for N-[4-[2-[4-(3-acetylphenyl)piperazin-1-yl]ethyl]cyclohexylidene]-3,3,3-trifluoropropanamide is CC(=O)c1cccc(N2CCN(CCC3CCC(=NC(=O)CC(F)(F)F)CC3)CC2)c1.
What is the InChIKey of N-[4-[2-[4-(3-acetylphenyl)piperazin-1-yl]ethyl]cyclohexylidene]-3,3,3-trifluoropropanamide?
The InChIKey is YNFIFYLCNWAOHE-OOAXWGSJSA-N. The full InChI is InChI=1S/C23H30F3N3O2/c1-17(30)19-3-2-4-21(15-19)29-13-11-28(12-14-29)10-9-18-5-7-20(8-6-18)27-22(31)16-23(24,25)26/h2-4,15,18H,5-14,16H2,1H3/b27-20-.
What are the key properties of N-[4-[2-[4-(3-acetylphenyl)piperazin-1-yl]ethyl]cyclohexylidene]-3,3,3-trifluoropropanamide?
N-[4-[2-[4-(3-acetylphenyl)piperazin-1-yl]ethyl]cyclohexylidene]-3,3,3-trifluoropropanamide has a molecular weight of 437.51 g/mol, XLogP of 4.51, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(3-acetylphenyl)piperazin-1-yl]ethyl]cyclohexylidene]-3,3,3-trifluoropropanamide is sourced from PubChem (CID 149389344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).