2,2,2-trifluoro-N-(1-methylpyrazol-4-yl)-N-piperidin-3-ylacetamide;hydrochloride

C11H16ClF3N4O — CID 155225342

IUPAC2,2,2-trifluoro-N-(1-methylpyrazol-4-yl)-N-piperidin-3-ylacetamide;hydrochloride
SMILESCl.Cn1cc(N(C(=O)C(F)(F)F)C2CCCNC2)cn1
InChIInChI=1S/C11H15F3N4O.ClH/c1-17-7-9(6-16-17)18(10(19)11(12,13)14)8-3-2-4-15-5-8;/h6-8,15H,2-5H2,1H3;1H
InChIKeyYKPHOLOQUQCFBB-UHFFFAOYSA-N
MW312.72 g/mol
LogP1.49
Rot. Bonds2

About 2,2,2-trifluoro-N-(1-methylpyrazol-4-yl)-N-piperidin-3-ylacetamide;hydrochloride

2,2,2-trifluoro-N-(1-methylpyrazol-4-yl)-N-piperidin-3-ylacetamide;hydrochloride (PubChem CID 155225342) has the molecular formula C11H16ClF3N4O and a molecular weight of 312.72 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(1-methylpyrazol-4-yl)-N-piperidin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(1-methylpyrazol-4-yl)-N-piperidin-3-ylacetamide;hydrochloride
PubChem CID155225342
Molecular FormulaC11H16ClF3N4O
Molecular Weight312.72 g/mol
Exact Mass312.10
IUPAC Name2,2,2-trifluoro-N-(1-methylpyrazol-4-yl)-N-piperidin-3-ylacetamide;hydrochloride
SMILESCl.Cn1cc(N(C(=O)C(F)(F)F)C2CCCNC2)cn1
InChIInChI=1S/C11H15F3N4O.ClH/c1-17-7-9(6-16-17)18(10(19)11(12,13)14)8-3-2-4-15-5-8;/h6-8,15H,2-5H2,1H3;1H
InChIKeyYKPHOLOQUQCFBB-UHFFFAOYSA-N
XLogP1.49
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.72
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,2,2-trifluoro-N-(1-methylpyrazol-4-yl)-N-piperidin-3-ylacetamide;hydrochloride 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

tert-butyl 4-(4-amino-1H-pyrazol-1-yl)piperidine-1-carboxylate
CID 27281520
2-(4-Amino-1h-pyrazol-1-yl)-1-(piperidin-1-yl)ethan-1-one
CID 28313578
2-(4-amino-1H-pyrazol-1-yl)-1-(4-methylpiperazin-1-yl)ethan-1-one
CID 28379290
3-amino-1-(1-methyl-1H-pyrazol-4-yl)piperidin-2-one
CID 54593545
1-(1-methyl-1H-pyrazol-4-yl)piperidin-3-amine
CID 54593547
1-(1-Methyl-1H-pyrazol-4-yl)-2-piperazinone
CID 64263444
N-methyl-1-(1-methyl-1H-pyrazol-4-yl)piperidin-3-amine
CID 64270757
5-(4-Amino-1H-pyrazol-1-YL)piperidin-2-one
CID 67076055
1-(1-methylpiperidin-4-yl)-1H-pyrazol-4-amine hydrochloride
CID 89717616
N-(1-ethylpyrazol-4-yl)-1-[1-oxo-1-(propylamino)propan-2-yl]piperidine-4-carboxamide
CID 51098380
N-(1-ethylpyrazol-4-yl)-1-[2-(2-methylpropylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 51098382
N-(1-ethylpyrazol-4-yl)-1-[2-oxo-2-(propylamino)ethyl]piperidine-4-carboxamide
CID 51098383

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(1-methylpyrazol-4-yl)-N-piperidin-3-ylacetamide;hydrochloride?
The IUPAC name of 2,2,2-trifluoro-N-(1-methylpyrazol-4-yl)-N-piperidin-3-ylacetamide;hydrochloride (CID 155225342) is 2,2,2-trifluoro-N-(1-methylpyrazol-4-yl)-N-piperidin-3-ylacetamide;hydrochloride.
What is the SMILES notation for 2,2,2-trifluoro-N-(1-methylpyrazol-4-yl)-N-piperidin-3-ylacetamide;hydrochloride?
The canonical SMILES for 2,2,2-trifluoro-N-(1-methylpyrazol-4-yl)-N-piperidin-3-ylacetamide;hydrochloride is Cl.Cn1cc(N(C(=O)C(F)(F)F)C2CCCNC2)cn1.
What is the InChIKey of 2,2,2-trifluoro-N-(1-methylpyrazol-4-yl)-N-piperidin-3-ylacetamide;hydrochloride?
The InChIKey is YKPHOLOQUQCFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O.ClH/c1-17-7-9(6-16-17)18(10(19)11(12,13)14)8-3-2-4-15-5-8;/h6-8,15H,2-5H2,1H3;1H.
What are the key properties of 2,2,2-trifluoro-N-(1-methylpyrazol-4-yl)-N-piperidin-3-ylacetamide;hydrochloride?
2,2,2-trifluoro-N-(1-methylpyrazol-4-yl)-N-piperidin-3-ylacetamide;hydrochloride has a molecular weight of 312.72 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(1-methylpyrazol-4-yl)-N-piperidin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 155225342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).