3-(4-fluorophenoxy)-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one

C17H20FN3O2 — CID 95768716

IUPAC3-(4-fluorophenoxy)-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
SMILESO=C(CCOc1ccc(F)cc1)N1CCC[C@@H](c2ccn[nH]2)C1
InChIInChI=1S/C17H20FN3O2/c18-14-3-5-15(6-4-14)23-11-8-17(22)21-10-1-2-13(12-21)16-7-9-19-20-16/h3-7,9,13H,1-2,8,10-12H2,(H,19,20)/t13-/m1/s1
InChIKeyHOCXIPNDIMXQIQ-CYBMUJFWSA-N
MW317.36 g/mol
LogP2.72
Rot. Bonds5

About 3-(4-fluorophenoxy)-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one

3-(4-fluorophenoxy)-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one (PubChem CID 95768716) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is 3-(4-fluorophenoxy)-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-fluorophenoxy)-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
PubChem CID95768716
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Name3-(4-fluorophenoxy)-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
SMILESO=C(CCOc1ccc(F)cc1)N1CCC[C@@H](c2ccn[nH]2)C1
InChIInChI=1S/C17H20FN3O2/c18-14-3-5-15(6-4-14)23-11-8-17(22)21-10-1-2-13(12-21)16-7-9-19-20-16/h3-7,9,13H,1-2,8,10-12H2,(H,19,20)/t13-/m1/s1
InChIKeyHOCXIPNDIMXQIQ-CYBMUJFWSA-N
XLogP2.72
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 95768722
5-[(3R)-1-[2-(4-fluorophenoxy)ethyl]pyrrolidin-3-yl]-1H-pyrazole
CID 124948771
6-[1-[2-(4-fluorophenoxy)acetyl]piperidin-3-yl]-1H-pyrimidin-2-one
CID 110115179
3-[(3S)-1-[3-(4-fluorophenoxy)propanoyl]piperidin-3-yl]propanoic acid
CID 129415349
3-(propan-2-ylamino)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 54873257
3-(4-fluorophenoxy)-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 119395905
1-phenyl-4-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]butane-1,4-dione
CID 97080910
1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 62867071
3-(4-fluorophenoxy)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 62370418
2,2-difluoro-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 103514888
2-(2-methoxyethylamino)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 79281663
3-imidazol-1-yl-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 124966328

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenoxy)-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(4-fluorophenoxy)-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one (CID 95768716) is 3-(4-fluorophenoxy)-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(4-fluorophenoxy)-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(4-fluorophenoxy)-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one is O=C(CCOc1ccc(F)cc1)N1CCC[C@@H](c2ccn[nH]2)C1.
What is the InChIKey of 3-(4-fluorophenoxy)-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one?
The InChIKey is HOCXIPNDIMXQIQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20FN3O2/c18-14-3-5-15(6-4-14)23-11-8-17(22)21-10-1-2-13(12-21)16-7-9-19-20-16/h3-7,9,13H,1-2,8,10-12H2,(H,19,20)/t13-/m1/s1.
What are the key properties of 3-(4-fluorophenoxy)-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one?
3-(4-fluorophenoxy)-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one has a molecular weight of 317.36 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenoxy)-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 95768716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).