2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]acetamide

C19H25F4N3O — CID 32813152

IUPAC2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]acetamide
SMILESO=C(CN1CCN(c2ccccc2F)CC1)N[C@@H]1CCC[C@H](C(F)(F)F)C1
InChIInChI=1S/C19H25F4N3O/c20-16-6-1-2-7-17(16)26-10-8-25(9-11-26)13-18(27)24-15-5-3-4-14(12-15)19(21,22)23/h1-2,6-7,14-15H,3-5,8-13H2,(H,24,27)/t14-,15+/m0/s1
InChIKeyUJELARNKOWMRKG-LSDHHAIUSA-N
MW387.42 g/mol
LogP3.18
Rot. Bonds4

About 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]acetamide

2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]acetamide (PubChem CID 32813152) has the molecular formula C19H25F4N3O and a molecular weight of 387.42 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]acetamide
PubChem CID32813152
Molecular FormulaC19H25F4N3O
Molecular Weight387.42 g/mol
Exact Mass387.19
IUPAC Name2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]acetamide
SMILESO=C(CN1CCN(c2ccccc2F)CC1)N[C@@H]1CCC[C@H](C(F)(F)F)C1
InChIInChI=1S/C19H25F4N3O/c20-16-6-1-2-7-17(16)26-10-8-25(9-11-26)13-18(27)24-15-5-3-4-14(12-15)19(21,22)23/h1-2,6-7,14-15H,3-5,8-13H2,(H,24,27)/t14-,15+/m0/s1
InChIKeyUJELARNKOWMRKG-LSDHHAIUSA-N
XLogP3.18
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]acetamide with MolForge

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Related Compounds

N-cyclohexyl-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 859123
2-(4-aminopiperidin-1-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 79322864
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 98750819
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 27150875
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 31339544
N-cyclohexyl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide
CID 8529369
2-[4-(2-fluorophenyl)piperazin-1-yl]acetohydrazide
CID 63570220
2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 78842077
N-cycloheptyl-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 6469730
4-[2-(2-ethylanilino)-2-oxoethyl]-N-[3-(trifluoromethyl)cyclohexyl]piperazine-1-carboxamide
CID 55590102
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 18169395
2-(4-fluorophenyl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 47021134

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]acetamide?
The IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]acetamide (CID 32813152) is 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]acetamide.
What is the SMILES notation for 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]acetamide?
The canonical SMILES for 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]acetamide is O=C(CN1CCN(c2ccccc2F)CC1)N[C@@H]1CCC[C@H](C(F)(F)F)C1.
What is the InChIKey of 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]acetamide?
The InChIKey is UJELARNKOWMRKG-LSDHHAIUSA-N. The full InChI is InChI=1S/C19H25F4N3O/c20-16-6-1-2-7-17(16)26-10-8-25(9-11-26)13-18(27)24-15-5-3-4-14(12-15)19(21,22)23/h1-2,6-7,14-15H,3-5,8-13H2,(H,24,27)/t14-,15+/m0/s1.
What are the key properties of 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]acetamide?
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]acetamide has a molecular weight of 387.42 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]acetamide is sourced from PubChem (CID 32813152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).