2-(2-methoxyethoxy)-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one

C15H22F3N3O3 — CID 167888638

IUPAC2-(2-methoxyethoxy)-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one
SMILESCOCCOC(C)C(=O)N1CCCC(c2cc(C(F)(F)F)n[nH]2)C1
InChIInChI=1S/C15H22F3N3O3/c1-10(24-7-6-23-2)14(22)21-5-3-4-11(9-21)12-8-13(20-19-12)15(16,17)18/h8,10-11H,3-7,9H2,1-2H3,(H,19,20)
InChIKeyGZQPSNLQQQQGRK-UHFFFAOYSA-N
MW349.35 g/mol
LogP2.19
Rot. Bonds6

About 2-(2-methoxyethoxy)-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one

2-(2-methoxyethoxy)-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one (PubChem CID 167888638) has the molecular formula C15H22F3N3O3 and a molecular weight of 349.35 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one
PubChem CID167888638
Molecular FormulaC15H22F3N3O3
Molecular Weight349.35 g/mol
Exact Mass349.16
IUPAC Name2-(2-methoxyethoxy)-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one
SMILESCOCCOC(C)C(=O)N1CCCC(c2cc(C(F)(F)F)n[nH]2)C1
InChIInChI=1S/C15H22F3N3O3/c1-10(24-7-6-23-2)14(22)21-5-3-4-11(9-21)12-8-13(20-19-12)15(16,17)18/h8,10-11H,3-7,9H2,1-2H3,(H,19,20)
InChIKeyGZQPSNLQQQQGRK-UHFFFAOYSA-N
XLogP2.19
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 2-(2-methoxyethoxy)-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one (CID 167888638) is 2-(2-methoxyethoxy)-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-(2-methoxyethoxy)-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-(2-methoxyethoxy)-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one is COCCOC(C)C(=O)N1CCCC(c2cc(C(F)(F)F)n[nH]2)C1.
What is the InChIKey of 2-(2-methoxyethoxy)-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one?
The InChIKey is GZQPSNLQQQQGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3O3/c1-10(24-7-6-23-2)14(22)21-5-3-4-11(9-21)12-8-13(20-19-12)15(16,17)18/h8,10-11H,3-7,9H2,1-2H3,(H,19,20).
What are the key properties of 2-(2-methoxyethoxy)-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one?
2-(2-methoxyethoxy)-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one has a molecular weight of 349.35 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 167888638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).