(4-fluorophenyl)-[(2R,5S)-5-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-methylpiperidin-1-yl]methanone

C20H18F2N4O2 — CID 46946406

IUPAC(4-fluorophenyl)-[(2R,5S)-5-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-methylpiperidin-1-yl]methanone
SMILESC[C@@H]1CC[C@H](c2noc(-c3ccc(F)cn3)n2)CN1C(=O)c1ccc(F)cc1
InChIInChI=1S/C20H18F2N4O2/c1-12-2-3-14(11-26(12)20(27)13-4-6-15(21)7-5-13)18-24-19(28-25-18)17-9-8-16(22)10-23-17/h4-10,12,14H,2-3,11H2,1H3/t12-,14+/m1/s1
InChIKeyJOBPCEDWVKYVKZ-OCCSQVGLSA-N
MW384.39 g/mol
LogP3.82
Rot. Bonds3

About (4-fluorophenyl)-[(2R,5S)-5-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-methylpiperidin-1-yl]methanone

(4-fluorophenyl)-[(2R,5S)-5-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-methylpiperidin-1-yl]methanone (PubChem CID 46946406) has the molecular formula C20H18F2N4O2 and a molecular weight of 384.39 g/mol. Its IUPAC name is (4-fluorophenyl)-[(2R,5S)-5-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[(2R,5S)-5-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-methylpiperidin-1-yl]methanone
PubChem CID46946406
Molecular FormulaC20H18F2N4O2
Molecular Weight384.39 g/mol
Exact Mass384.14
IUPAC Name(4-fluorophenyl)-[(2R,5S)-5-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-methylpiperidin-1-yl]methanone
SMILESC[C@@H]1CC[C@H](c2noc(-c3ccc(F)cn3)n2)CN1C(=O)c1ccc(F)cc1
InChIInChI=1S/C20H18F2N4O2/c1-12-2-3-14(11-26(12)20(27)13-4-6-15(21)7-5-13)18-24-19(28-25-18)17-9-8-16(22)10-23-17/h4-10,12,14H,2-3,11H2,1H3/t12-,14+/m1/s1
InChIKeyJOBPCEDWVKYVKZ-OCCSQVGLSA-N
XLogP3.82
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[(2R,5S)-5-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-methylpiperidin-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[(2R,5S)-5-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-methylpiperidin-1-yl]methanone (CID 46946406) is (4-fluorophenyl)-[(2R,5S)-5-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-methylpiperidin-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[(2R,5S)-5-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-methylpiperidin-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[(2R,5S)-5-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-methylpiperidin-1-yl]methanone is C[C@@H]1CC[C@H](c2noc(-c3ccc(F)cn3)n2)CN1C(=O)c1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl)-[(2R,5S)-5-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-methylpiperidin-1-yl]methanone?
The InChIKey is JOBPCEDWVKYVKZ-OCCSQVGLSA-N. The full InChI is InChI=1S/C20H18F2N4O2/c1-12-2-3-14(11-26(12)20(27)13-4-6-15(21)7-5-13)18-24-19(28-25-18)17-9-8-16(22)10-23-17/h4-10,12,14H,2-3,11H2,1H3/t12-,14+/m1/s1.
What are the key properties of (4-fluorophenyl)-[(2R,5S)-5-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-methylpiperidin-1-yl]methanone?
(4-fluorophenyl)-[(2R,5S)-5-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-methylpiperidin-1-yl]methanone has a molecular weight of 384.39 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[(2R,5S)-5-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 46946406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).