2,2,2-trifluoro-N-(5-methyl-1H-pyrazol-4-yl)-N-piperidin-3-ylacetamide;hydrochloride

C11H16ClF3N4O — CID 155225346

IUPAC2,2,2-trifluoro-N-(5-methyl-1H-pyrazol-4-yl)-N-piperidin-3-ylacetamide;hydrochloride
SMILESCc1[nH]ncc1N(C(=O)C(F)(F)F)C1CCCNC1.Cl
InChIInChI=1S/C11H15F3N4O.ClH/c1-7-9(6-16-17-7)18(10(19)11(12,13)14)8-3-2-4-15-5-8;/h6,8,15H,2-5H2,1H3,(H,16,17);1H
InChIKeyBJWPVRWWDKXDTN-UHFFFAOYSA-N
MW312.72 g/mol
LogP1.79
Rot. Bonds2

About 2,2,2-trifluoro-N-(5-methyl-1H-pyrazol-4-yl)-N-piperidin-3-ylacetamide;hydrochloride

2,2,2-trifluoro-N-(5-methyl-1H-pyrazol-4-yl)-N-piperidin-3-ylacetamide;hydrochloride (PubChem CID 155225346) has the molecular formula C11H16ClF3N4O and a molecular weight of 312.72 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(5-methyl-1H-pyrazol-4-yl)-N-piperidin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(5-methyl-1H-pyrazol-4-yl)-N-piperidin-3-ylacetamide;hydrochloride
PubChem CID155225346
Molecular FormulaC11H16ClF3N4O
Molecular Weight312.72 g/mol
Exact Mass312.10
IUPAC Name2,2,2-trifluoro-N-(5-methyl-1H-pyrazol-4-yl)-N-piperidin-3-ylacetamide;hydrochloride
SMILESCc1[nH]ncc1N(C(=O)C(F)(F)F)C1CCCNC1.Cl
InChIInChI=1S/C11H15F3N4O.ClH/c1-7-9(6-16-17-7)18(10(19)11(12,13)14)8-3-2-4-15-5-8;/h6,8,15H,2-5H2,1H3,(H,16,17);1H
InChIKeyBJWPVRWWDKXDTN-UHFFFAOYSA-N
XLogP1.79
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.72
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(5-methyl-1H-pyrazol-4-yl)-N-piperidin-3-ylacetamide;hydrochloride?
The IUPAC name of 2,2,2-trifluoro-N-(5-methyl-1H-pyrazol-4-yl)-N-piperidin-3-ylacetamide;hydrochloride (CID 155225346) is 2,2,2-trifluoro-N-(5-methyl-1H-pyrazol-4-yl)-N-piperidin-3-ylacetamide;hydrochloride.
What is the SMILES notation for 2,2,2-trifluoro-N-(5-methyl-1H-pyrazol-4-yl)-N-piperidin-3-ylacetamide;hydrochloride?
The canonical SMILES for 2,2,2-trifluoro-N-(5-methyl-1H-pyrazol-4-yl)-N-piperidin-3-ylacetamide;hydrochloride is Cc1[nH]ncc1N(C(=O)C(F)(F)F)C1CCCNC1.Cl.
What is the InChIKey of 2,2,2-trifluoro-N-(5-methyl-1H-pyrazol-4-yl)-N-piperidin-3-ylacetamide;hydrochloride?
The InChIKey is BJWPVRWWDKXDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O.ClH/c1-7-9(6-16-17-7)18(10(19)11(12,13)14)8-3-2-4-15-5-8;/h6,8,15H,2-5H2,1H3,(H,16,17);1H.
What are the key properties of 2,2,2-trifluoro-N-(5-methyl-1H-pyrazol-4-yl)-N-piperidin-3-ylacetamide;hydrochloride?
2,2,2-trifluoro-N-(5-methyl-1H-pyrazol-4-yl)-N-piperidin-3-ylacetamide;hydrochloride has a molecular weight of 312.72 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(5-methyl-1H-pyrazol-4-yl)-N-piperidin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 155225346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).