[(3S)-3-[3-(3-fluorophenoxy)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-fluorophenyl)methanone

C21H19F2N3O2 — CID 141269924

IUPAC[(3S)-3-[3-(3-fluorophenoxy)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-fluorophenyl)methanone
SMILESO=C(c1cccc(F)c1)N1CCC[C@H](c2cc(Oc3cccc(F)c3)n[nH]2)C1
InChIInChI=1S/C21H19F2N3O2/c22-16-6-1-4-14(10-16)21(27)26-9-3-5-15(13-26)19-12-20(25-24-19)28-18-8-2-7-17(23)11-18/h1-2,4,6-8,10-12,15H,3,5,9,13H2,(H,24,25)/t15-/m0/s1
InChIKeyDSUJCJAVVIBLIS-HNNXBMFYSA-N
MW383.40 g/mol
LogP4.50
Rot. Bonds4

About [(3S)-3-[3-(3-fluorophenoxy)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-fluorophenyl)methanone

[(3S)-3-[3-(3-fluorophenoxy)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-fluorophenyl)methanone (PubChem CID 141269924) has the molecular formula C21H19F2N3O2 and a molecular weight of 383.40 g/mol. Its IUPAC name is [(3S)-3-[3-(3-fluorophenoxy)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name[(3S)-3-[3-(3-fluorophenoxy)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-fluorophenyl)methanone
PubChem CID141269924
Molecular FormulaC21H19F2N3O2
Molecular Weight383.40 g/mol
Exact Mass383.14
IUPAC Name[(3S)-3-[3-(3-fluorophenoxy)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-fluorophenyl)methanone
SMILESO=C(c1cccc(F)c1)N1CCC[C@H](c2cc(Oc3cccc(F)c3)n[nH]2)C1
InChIInChI=1S/C21H19F2N3O2/c22-16-6-1-4-14(10-16)21(27)26-9-3-5-15(13-26)19-12-20(25-24-19)28-18-8-2-7-17(23)11-18/h1-2,4,6-8,10-12,15H,3,5,9,13H2,(H,24,25)/t15-/m0/s1
InChIKeyDSUJCJAVVIBLIS-HNNXBMFYSA-N
XLogP4.50
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-3-[3-(3-fluorophenoxy)-1H-pyrazol-5-yl]piperidin-1-yl]-(2-fluoro-4-pyridinyl)methanone
CID 141269913
(3-fluorophenyl)-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]methanone
CID 110234470
[(3S)-3-[6-(3-fluorophenoxy)-2-pyridinyl]piperidin-1-yl]-[3-(imidazol-1-ylmethyl)phenyl]methanone
CID 125010514
(3-fluorophenyl)-(3-phenoxypiperidin-1-yl)methanone
CID 110605378
(3-fluorophenyl)-[3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 53137680
(3-fluorophenyl)-(3-phenylazepan-1-yl)methanone
CID 90608444
[(3R)-1-(3-fluorobenzoyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 932369
[1-(3-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 3769094
(3-fluorophenyl)-[3-(phenoxymethyl)piperidin-1-yl]methanone
CID 110638403
(4-fluorophenyl)-[(3S)-3-[3-(2,4,6-trifluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 141260766
(4-fluorophenyl)-[(3S)-3-(3-phenylsulfanyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 141269901
2-amino-1-[(3R)-3-[6-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95823406

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[3-(3-fluorophenoxy)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-fluorophenyl)methanone?
The IUPAC name of [(3S)-3-[3-(3-fluorophenoxy)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-fluorophenyl)methanone (CID 141269924) is [(3S)-3-[3-(3-fluorophenoxy)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-fluorophenyl)methanone.
What is the SMILES notation for [(3S)-3-[3-(3-fluorophenoxy)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-fluorophenyl)methanone?
The canonical SMILES for [(3S)-3-[3-(3-fluorophenoxy)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-fluorophenyl)methanone is O=C(c1cccc(F)c1)N1CCC[C@H](c2cc(Oc3cccc(F)c3)n[nH]2)C1.
What is the InChIKey of [(3S)-3-[3-(3-fluorophenoxy)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-fluorophenyl)methanone?
The InChIKey is DSUJCJAVVIBLIS-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H19F2N3O2/c22-16-6-1-4-14(10-16)21(27)26-9-3-5-15(13-26)19-12-20(25-24-19)28-18-8-2-7-17(23)11-18/h1-2,4,6-8,10-12,15H,3,5,9,13H2,(H,24,25)/t15-/m0/s1.
What are the key properties of [(3S)-3-[3-(3-fluorophenoxy)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-fluorophenyl)methanone?
[(3S)-3-[3-(3-fluorophenoxy)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-fluorophenyl)methanone has a molecular weight of 383.40 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[3-(3-fluorophenoxy)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-fluorophenyl)methanone is sourced from PubChem (CID 141269924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).