2-piperazin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide

C14H18F3N3O — CID 62880126

IUPAC2-piperazin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
SMILESO=C(CN1CCNCC1)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H18F3N3O/c15-14(16,17)12-3-1-11(2-4-12)9-19-13(21)10-20-7-5-18-6-8-20/h1-4,18H,5-10H2,(H,19,21)
InChIKeyZRGPHAHKLMCLDQ-UHFFFAOYSA-N
MW301.31 g/mol
LogP1.23
Rot. Bonds4

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

2-piperazin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 62880126) has the molecular formula C14H18F3N3O and a molecular weight of 301.31 g/mol. Its IUPAC name is 2-piperazin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-piperazin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID62880126
Molecular FormulaC14H18F3N3O
Molecular Weight301.31 g/mol
Exact Mass301.14
IUPAC Name2-piperazin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
SMILESO=C(CN1CCNCC1)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H18F3N3O/c15-14(16,17)12-3-1-11(2-4-12)9-19-13(21)10-20-7-5-18-6-8-20/h1-4,18H,5-10H2,(H,19,21)
InChIKeyZRGPHAHKLMCLDQ-UHFFFAOYSA-N
XLogP1.23
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,4-diazepan-1-yl)-N-[(4-hydroxyphenyl)methyl]acetamide
CID 114332159
N-(2-piperazin-1-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119447265
N-[(4-cyanophenyl)methyl]-2-(1,4-diazepan-1-yl)acetamide
CID 62837229
N-benzyl-2-[4-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]piperazin-1-yl]acetamide
CID 30457276
3-piperidin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide;hydrochloride
CID 119696658
N-(naphthalen-1-ylmethyl)-2-piperazin-1-ylacetamide;2,2,2-trifluoroacetic acid
CID 172895290
N-[(4-fluorophenyl)methyl]-2-(3-oxopiperazin-1-yl)acetamide
CID 2546535
2-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 16757561
2-(1,4-diazepan-1-yl)-N-[(3-fluorophenyl)methyl]acetamide
CID 62838248
N-[2-(4-fluorophenyl)ethyl]-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetamide
CID 36852770
2-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 27052812
2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 32923314

Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-piperazin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide (CID 62880126) is 2-piperazin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-piperazin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-piperazin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide is O=C(CN1CCNCC1)NCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-piperazin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is ZRGPHAHKLMCLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O/c15-14(16,17)12-3-1-11(2-4-12)9-19-13(21)10-20-7-5-18-6-8-20/h1-4,18H,5-10H2,(H,19,21).
What are the key properties of 2-piperazin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
2-piperazin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 301.31 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 62880126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).