2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone;hydrochloride

C16H25ClF3N5O — CID 120870990

IUPAC2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone;hydrochloride
SMILESCl.Cn1ccnc1C1CNCCN1CC(=O)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C16H24F3N5O.ClH/c1-22-7-5-21-15(22)13-9-20-4-8-23(13)11-14(25)24-6-2-3-12(10-24)16(17,18)19;/h5,7,12-13,20H,2-4,6,8-11H2,1H3;1H
InChIKeyFPZOPICJMHSEQH-UHFFFAOYSA-N
MW395.86 g/mol
LogP1.59
Rot. Bonds3

About 2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone;hydrochloride

2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone;hydrochloride (PubChem CID 120870990) has the molecular formula C16H25ClF3N5O and a molecular weight of 395.86 g/mol. Its IUPAC name is 2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone;hydrochloride
PubChem CID120870990
Molecular FormulaC16H25ClF3N5O
Molecular Weight395.86 g/mol
Exact Mass395.17
IUPAC Name2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone;hydrochloride
SMILESCl.Cn1ccnc1C1CNCCN1CC(=O)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C16H24F3N5O.ClH/c1-22-7-5-21-15(22)13-9-20-4-8-23(13)11-14(25)24-6-2-3-12(10-24)16(17,18)19;/h5,7,12-13,20H,2-4,6,8-11H2,1H3;1H
InChIKeyFPZOPICJMHSEQH-UHFFFAOYSA-N
XLogP1.59
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.86
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetyl]piperazin-2-one
CID 120871171
N-cyclopentyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120871110
2-[2-(2-chlorophenyl)piperazin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 120757230
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120871104
N-cycloheptyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120870391
N-ethyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120967367
3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one;hydrochloride
CID 120870506
N-(cyclohexylmethyl)-N-methyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120870995
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 120870665
1-[3-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenylethanone
CID 120879828
3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 120871068
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-propylacetamide
CID 120870905

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone;hydrochloride?
The IUPAC name of 2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone;hydrochloride (CID 120870990) is 2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone;hydrochloride is Cl.Cn1ccnc1C1CNCCN1CC(=O)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of 2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone;hydrochloride?
The InChIKey is FPZOPICJMHSEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3N5O.ClH/c1-22-7-5-21-15(22)13-9-20-4-8-23(13)11-14(25)24-6-2-3-12(10-24)16(17,18)19;/h5,7,12-13,20H,2-4,6,8-11H2,1H3;1H.
What are the key properties of 2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone;hydrochloride?
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone;hydrochloride has a molecular weight of 395.86 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 120870990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).