2-(1-ethyltriazol-4-yl)-1-(3-fluoro-3-phenylpiperidin-1-yl)ethanone

C17H21FN4O — CID 136565693

IUPAC2-(1-ethyltriazol-4-yl)-1-(3-fluoro-3-phenylpiperidin-1-yl)ethanone
SMILESCCn1cc(CC(=O)N2CCCC(F)(c3ccccc3)C2)nn1
InChIInChI=1S/C17H21FN4O/c1-2-22-12-15(19-20-22)11-16(23)21-10-6-9-17(18,13-21)14-7-4-3-5-8-14/h3-5,7-8,12H,2,6,9-11,13H2,1H3
InChIKeyIKDBEBDTVJOWLU-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.33
Rot. Bonds4

About 2-(1-ethyltriazol-4-yl)-1-(3-fluoro-3-phenylpiperidin-1-yl)ethanone

2-(1-ethyltriazol-4-yl)-1-(3-fluoro-3-phenylpiperidin-1-yl)ethanone (PubChem CID 136565693) has the molecular formula C17H21FN4O and a molecular weight of 316.38 g/mol. Its IUPAC name is 2-(1-ethyltriazol-4-yl)-1-(3-fluoro-3-phenylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(1-ethyltriazol-4-yl)-1-(3-fluoro-3-phenylpiperidin-1-yl)ethanone
PubChem CID136565693
Molecular FormulaC17H21FN4O
Molecular Weight316.38 g/mol
Exact Mass316.17
IUPAC Name2-(1-ethyltriazol-4-yl)-1-(3-fluoro-3-phenylpiperidin-1-yl)ethanone
SMILESCCn1cc(CC(=O)N2CCCC(F)(c3ccccc3)C2)nn1
InChIInChI=1S/C17H21FN4O/c1-2-22-12-15(19-20-22)11-16(23)21-10-6-9-17(18,13-21)14-7-4-3-5-8-14/h3-5,7-8,12H,2,6,9-11,13H2,1H3
InChIKeyIKDBEBDTVJOWLU-UHFFFAOYSA-N
XLogP2.33
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyltriazol-4-yl)-1-(3-fluoro-3-phenylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(1-ethyltriazol-4-yl)-1-(3-fluoro-3-phenylpiperidin-1-yl)ethanone (CID 136565693) is 2-(1-ethyltriazol-4-yl)-1-(3-fluoro-3-phenylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(1-ethyltriazol-4-yl)-1-(3-fluoro-3-phenylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(1-ethyltriazol-4-yl)-1-(3-fluoro-3-phenylpiperidin-1-yl)ethanone is CCn1cc(CC(=O)N2CCCC(F)(c3ccccc3)C2)nn1.
What is the InChIKey of 2-(1-ethyltriazol-4-yl)-1-(3-fluoro-3-phenylpiperidin-1-yl)ethanone?
The InChIKey is IKDBEBDTVJOWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O/c1-2-22-12-15(19-20-22)11-16(23)21-10-6-9-17(18,13-21)14-7-4-3-5-8-14/h3-5,7-8,12H,2,6,9-11,13H2,1H3.
What are the key properties of 2-(1-ethyltriazol-4-yl)-1-(3-fluoro-3-phenylpiperidin-1-yl)ethanone?
2-(1-ethyltriazol-4-yl)-1-(3-fluoro-3-phenylpiperidin-1-yl)ethanone has a molecular weight of 316.38 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyltriazol-4-yl)-1-(3-fluoro-3-phenylpiperidin-1-yl)ethanone is sourced from PubChem (CID 136565693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).