[(3S)-3-[3-(2,6-difluorophenyl)-2H-oxadiazol-5-yl]piperidin-1-yl]-(4-fluorophenyl)methanone

C20H18F3N3O2 — CID 69108818

IUPAC[(3S)-3-[3-(2,6-difluorophenyl)-2H-oxadiazol-5-yl]piperidin-1-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCC[C@H](C2=CN(c3c(F)cccc3F)NO2)C1
InChIInChI=1S/C20H18F3N3O2/c21-15-8-6-13(7-9-15)20(27)25-10-2-3-14(11-25)18-12-26(24-28-18)19-16(22)4-1-5-17(19)23/h1,4-9,12,14,24H,2-3,10-11H2/t14-/m0/s1
InChIKeyNLYMKNYRISKWRN-AWEZNQCLSA-N
MW389.38 g/mol
LogP3.75
Rot. Bonds3

About [(3S)-3-[3-(2,6-difluorophenyl)-2H-oxadiazol-5-yl]piperidin-1-yl]-(4-fluorophenyl)methanone

[(3S)-3-[3-(2,6-difluorophenyl)-2H-oxadiazol-5-yl]piperidin-1-yl]-(4-fluorophenyl)methanone (PubChem CID 69108818) has the molecular formula C20H18F3N3O2 and a molecular weight of 389.38 g/mol. Its IUPAC name is [(3S)-3-[3-(2,6-difluorophenyl)-2H-oxadiazol-5-yl]piperidin-1-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[(3S)-3-[3-(2,6-difluorophenyl)-2H-oxadiazol-5-yl]piperidin-1-yl]-(4-fluorophenyl)methanone
PubChem CID69108818
Molecular FormulaC20H18F3N3O2
Molecular Weight389.38 g/mol
Exact Mass389.14
IUPAC Name[(3S)-3-[3-(2,6-difluorophenyl)-2H-oxadiazol-5-yl]piperidin-1-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCC[C@H](C2=CN(c3c(F)cccc3F)NO2)C1
InChIInChI=1S/C20H18F3N3O2/c21-15-8-6-13(7-9-15)20(27)25-10-2-3-14(11-25)18-12-26(24-28-18)19-16(22)4-1-5-17(19)23/h1,4-9,12,14,24H,2-3,10-11H2/t14-/m0/s1
InChIKeyNLYMKNYRISKWRN-AWEZNQCLSA-N
XLogP3.75
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[3-(4-fluorophenoxy)-2H-oxadiazol-5-yl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 69128453
(3,4-difluorophenyl)-[(3S)-3-(3-thiophen-3-yl-2H-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 69109047
[3-[3-(4-fluorophenyl)-2H-oxadiazol-5-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 69109071
(4-fluorophenyl)-[3-(4-fluorophenyl)piperidin-1-yl]methanone
CID 70334763
[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 936701
(4-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113489
(3S)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 68704612
(4-fluorophenyl)-[3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 110249296
(4-aminopiperidin-1-yl)-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone
CID 119372894
[3-[(3S)-1-(4-fluorobenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl]-phenylmethanone
CID 59140444
(4-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535610
[3-(2-aminoethyl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 63766318

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[3-(2,6-difluorophenyl)-2H-oxadiazol-5-yl]piperidin-1-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [(3S)-3-[3-(2,6-difluorophenyl)-2H-oxadiazol-5-yl]piperidin-1-yl]-(4-fluorophenyl)methanone (CID 69108818) is [(3S)-3-[3-(2,6-difluorophenyl)-2H-oxadiazol-5-yl]piperidin-1-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [(3S)-3-[3-(2,6-difluorophenyl)-2H-oxadiazol-5-yl]piperidin-1-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [(3S)-3-[3-(2,6-difluorophenyl)-2H-oxadiazol-5-yl]piperidin-1-yl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)N1CCC[C@H](C2=CN(c3c(F)cccc3F)NO2)C1.
What is the InChIKey of [(3S)-3-[3-(2,6-difluorophenyl)-2H-oxadiazol-5-yl]piperidin-1-yl]-(4-fluorophenyl)methanone?
The InChIKey is NLYMKNYRISKWRN-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H18F3N3O2/c21-15-8-6-13(7-9-15)20(27)25-10-2-3-14(11-25)18-12-26(24-28-18)19-16(22)4-1-5-17(19)23/h1,4-9,12,14,24H,2-3,10-11H2/t14-/m0/s1.
What are the key properties of [(3S)-3-[3-(2,6-difluorophenyl)-2H-oxadiazol-5-yl]piperidin-1-yl]-(4-fluorophenyl)methanone?
[(3S)-3-[3-(2,6-difluorophenyl)-2H-oxadiazol-5-yl]piperidin-1-yl]-(4-fluorophenyl)methanone has a molecular weight of 389.38 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[3-(2,6-difluorophenyl)-2H-oxadiazol-5-yl]piperidin-1-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 69108818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).