1-[4-[3-[2-amino-4-(trifluoromethoxy)anilino]phenyl]piperazin-1-yl]ethanone

C19H21F3N4O2 — CID 68952746

IUPAC1-[4-[3-[2-amino-4-(trifluoromethoxy)anilino]phenyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cccc(Nc3ccc(OC(F)(F)F)cc3N)c2)CC1
InChIInChI=1S/C19H21F3N4O2/c1-13(27)25-7-9-26(10-8-25)15-4-2-3-14(11-15)24-18-6-5-16(12-17(18)23)28-19(20,21)22/h2-6,11-12,24H,7-10,23H2,1H3
InChIKeyRRKBRQDWTVOTBM-UHFFFAOYSA-N
MW394.40 g/mol
LogP3.58
Rot. Bonds4

About 1-[4-[3-[2-amino-4-(trifluoromethoxy)anilino]phenyl]piperazin-1-yl]ethanone

1-[4-[3-[2-amino-4-(trifluoromethoxy)anilino]phenyl]piperazin-1-yl]ethanone (PubChem CID 68952746) has the molecular formula C19H21F3N4O2 and a molecular weight of 394.40 g/mol. Its IUPAC name is 1-[4-[3-[2-amino-4-(trifluoromethoxy)anilino]phenyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-[2-amino-4-(trifluoromethoxy)anilino]phenyl]piperazin-1-yl]ethanone
PubChem CID68952746
Molecular FormulaC19H21F3N4O2
Molecular Weight394.40 g/mol
Exact Mass394.16
IUPAC Name1-[4-[3-[2-amino-4-(trifluoromethoxy)anilino]phenyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cccc(Nc3ccc(OC(F)(F)F)cc3N)c2)CC1
InChIInChI=1S/C19H21F3N4O2/c1-13(27)25-7-9-26(10-8-25)15-4-2-3-14(11-15)24-18-6-5-16(12-17(18)23)28-19(20,21)22/h2-6,11-12,24H,7-10,23H2,1H3
InChIKeyRRKBRQDWTVOTBM-UHFFFAOYSA-N
XLogP3.58
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[4-[3-[2-amino-4-(trifluoromethoxy)anilino]phenyl]piperazin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[4-[3-(4-acetylpiperazin-1-yl)anilino]-3-aminophenyl]acetate
CID 67485395
2-[4-[3-(4-acetylpiperazin-1-yl)anilino]-3-aminophenyl]-N-methylacetamide
CID 68953669
ethyl 4-[3-(4-acetylpiperazin-1-yl)anilino]-5-amino-2-fluorobenzoate
CID 20600761
N-[2-amino-4-(trifluoromethoxy)phenyl]acetamide
CID 14836859
ethyl 4-[3-[2-amino-4-(furan-3-yl)anilino]phenyl]piperazine-1-carboxylate
CID 22330021
3-amino-4-[3-(4-benzylpiperazin-1-yl)anilino]benzoic acid
CID 150508917
2-methoxyethyl 3-amino-4-[3-[4-(2-methoxy-2-oxoethyl)piperazin-1-yl]anilino]benzoate
CID 22330051
1-[4-[2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]piperazin-1-yl]ethanone
CID 139573877
4-acetyl-2-methyl-N-[3-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 71846830
1-[4-(3,4-diaminophenyl)piperazin-1-yl]ethanone
CID 14911026
N-[3-(4-acetylpiperazin-1-yl)phenyl]propane-1-sulfonamide
CID 110368214
1-(4-acetylpiperazin-1-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethane-1,2-dione
CID 108508453

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[2-amino-4-(trifluoromethoxy)anilino]phenyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-[2-amino-4-(trifluoromethoxy)anilino]phenyl]piperazin-1-yl]ethanone (CID 68952746) is 1-[4-[3-[2-amino-4-(trifluoromethoxy)anilino]phenyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-[2-amino-4-(trifluoromethoxy)anilino]phenyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-[2-amino-4-(trifluoromethoxy)anilino]phenyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2cccc(Nc3ccc(OC(F)(F)F)cc3N)c2)CC1.
What is the InChIKey of 1-[4-[3-[2-amino-4-(trifluoromethoxy)anilino]phenyl]piperazin-1-yl]ethanone?
The InChIKey is RRKBRQDWTVOTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O2/c1-13(27)25-7-9-26(10-8-25)15-4-2-3-14(11-15)24-18-6-5-16(12-17(18)23)28-19(20,21)22/h2-6,11-12,24H,7-10,23H2,1H3.
What are the key properties of 1-[4-[3-[2-amino-4-(trifluoromethoxy)anilino]phenyl]piperazin-1-yl]ethanone?
1-[4-[3-[2-amino-4-(trifluoromethoxy)anilino]phenyl]piperazin-1-yl]ethanone has a molecular weight of 394.40 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[2-amino-4-(trifluoromethoxy)anilino]phenyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 68952746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).