2-(4-ethylpiperazin-1-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide;formic acid

C17H24F3N3O4 — CID 154911848

IUPAC2-(4-ethylpiperazin-1-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide;formic acid
SMILESCCN1CCN(CC(=O)NCc2ccccc2OC(F)(F)F)CC1.O=CO
InChIInChI=1S/C16H22F3N3O2.CH2O2/c1-2-21-7-9-22(10-8-21)12-15(23)20-11-13-5-3-4-6-14(13)24-16(17,18)19;2-1-3/h3-6H,2,7-12H2,1H3,(H,20,23);1H,(H,2,3)
InChIKeySCACYOCCLMJLBN-UHFFFAOYSA-N
MW391.39 g/mol
LogP1.54
Rot. Bonds6

About 2-(4-ethylpiperazin-1-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide;formic acid

2-(4-ethylpiperazin-1-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide;formic acid (PubChem CID 154911848) has the molecular formula C17H24F3N3O4 and a molecular weight of 391.39 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide;formic acid.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide;formic acid
PubChem CID154911848
Molecular FormulaC17H24F3N3O4
Molecular Weight391.39 g/mol
Exact Mass391.17
IUPAC Name2-(4-ethylpiperazin-1-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide;formic acid
SMILESCCN1CCN(CC(=O)NCc2ccccc2OC(F)(F)F)CC1.O=CO
InChIInChI=1S/C16H22F3N3O2.CH2O2/c1-2-21-7-9-22(10-8-21)12-15(23)20-11-13-5-3-4-6-14(13)24-16(17,18)19;2-1-3/h3-6H,2,7-12H2,1H3,(H,20,23);1H,(H,2,3)
InChIKeySCACYOCCLMJLBN-UHFFFAOYSA-N
XLogP1.54
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.39
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(4-ethylpiperazin-1-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide;formic acid 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

2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 24664292
2-[4-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 30671216
2-(ethylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 60703728
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 35427329
2-[4-(3-chlorobenzoyl)piperazin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 55543337
N-[(2-methoxyphenyl)methyl]-2-pyrrolidin-1-ylacetamide
CID 8901770
ethyl 4-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]piperazine-1-carboxylate
CID 8932090
4-chloro-N-[[2-(trifluoromethoxy)phenyl]methyl]butanamide
CID 63309225
2-(azocan-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 51170947
2-(4-fluoropiperidin-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 171701323
2-[(4aR,8aS)-1,1-dioxo-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazin-4-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 100897065
2-[(4aR,8aR)-1,1-dioxo-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazin-4-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 100897063

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide;formic acid?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide;formic acid (CID 154911848) is 2-(4-ethylpiperazin-1-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide;formic acid.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide;formic acid?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide;formic acid is CCN1CCN(CC(=O)NCc2ccccc2OC(F)(F)F)CC1.O=CO.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide;formic acid?
The InChIKey is SCACYOCCLMJLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O2.CH2O2/c1-2-21-7-9-22(10-8-21)12-15(23)20-11-13-5-3-4-6-14(13)24-16(17,18)19;2-1-3/h3-6H,2,7-12H2,1H3,(H,20,23);1H,(H,2,3).
What are the key properties of 2-(4-ethylpiperazin-1-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide;formic acid?
2-(4-ethylpiperazin-1-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide;formic acid has a molecular weight of 391.39 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide;formic acid is sourced from PubChem (CID 154911848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).