N-ethyl-2-[[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetyl]amino]acetamide

C18H25F3N4O2 — CID 8861904

IUPACN-ethyl-2-[[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetyl]amino]acetamide
SMILESCCNC(=O)CNC(=O)CN1CCN(Cc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C18H25F3N4O2/c1-2-22-16(26)11-23-17(27)13-25-8-6-24(7-9-25)12-14-4-3-5-15(10-14)18(19,20)21/h3-5,10H,2,6-9,11-13H2,1H3,(H,22,26)(H,23,27)
InChIKeyVDSXAUQBISRZQC-UHFFFAOYSA-N
MW386.42 g/mol
LogP1.08
Rot. Bonds7

About N-ethyl-2-[[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetyl]amino]acetamide

N-ethyl-2-[[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetyl]amino]acetamide (PubChem CID 8861904) has the molecular formula C18H25F3N4O2 and a molecular weight of 386.42 g/mol. Its IUPAC name is N-ethyl-2-[[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetyl]amino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetyl]amino]acetamide
PubChem CID8861904
Molecular FormulaC18H25F3N4O2
Molecular Weight386.42 g/mol
Exact Mass386.19
IUPAC NameN-ethyl-2-[[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetyl]amino]acetamide
SMILESCCNC(=O)CNC(=O)CN1CCN(Cc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C18H25F3N4O2/c1-2-22-16(26)11-23-17(27)13-25-8-6-24(7-9-25)12-14-4-3-5-15(10-14)18(19,20)21/h3-5,10H,2,6-9,11-13H2,1H3,(H,22,26)(H,23,27)
InChIKeyVDSXAUQBISRZQC-UHFFFAOYSA-N
XLogP1.08
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-ethyl-2-[[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetyl]amino]acetamide with MolForge

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Related Compounds

N-(2-methylbutan-2-yl)-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetamide
CID 18088722
N-[2-(ethylamino)-2-oxoethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 9224353
N-(2-cyanoethyl)-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetamide
CID 34706072
N,N-dimethyl-4-[[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetyl]amino]benzamide
CID 39948967
N-[(5-methyl-1-phenylpyrazol-3-yl)methyl]-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetamide
CID 45278519
N-ethyl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide
CID 37307613
2-(methylamino)-1-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanone;hydrochloride
CID 120703341
2-[[ethylamino-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methylidene]amino]-N,N-dimethylacetamide
CID 111363663
N-ethyl-2-[[N-ethyl-N'-[[3-(trifluoromethyl)phenyl]methyl]carbamimidoyl]amino]acetamide
CID 111267445
2,2,2-trifluoro-1-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanone
CID 19329601
N-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56551338
N-ethyl-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 165433778

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetyl]amino]acetamide?
The IUPAC name of N-ethyl-2-[[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetyl]amino]acetamide (CID 8861904) is N-ethyl-2-[[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetyl]amino]acetamide.
What is the SMILES notation for N-ethyl-2-[[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetyl]amino]acetamide?
The canonical SMILES for N-ethyl-2-[[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetyl]amino]acetamide is CCNC(=O)CNC(=O)CN1CCN(Cc2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of N-ethyl-2-[[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetyl]amino]acetamide?
The InChIKey is VDSXAUQBISRZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N4O2/c1-2-22-16(26)11-23-17(27)13-25-8-6-24(7-9-25)12-14-4-3-5-15(10-14)18(19,20)21/h3-5,10H,2,6-9,11-13H2,1H3,(H,22,26)(H,23,27).
What are the key properties of N-ethyl-2-[[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetyl]amino]acetamide?
N-ethyl-2-[[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetyl]amino]acetamide has a molecular weight of 386.42 g/mol, XLogP of 1.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetyl]amino]acetamide is sourced from PubChem (CID 8861904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).