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

C18H17F2N3O2S — CID 69109047

IUPAC(3,4-difluorophenyl)-[(3S)-3-(3-thiophen-3-yl-2H-oxadiazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(F)c(F)c1)N1CCC[C@H](C2=CN(c3ccsc3)NO2)C1
InChIInChI=1S/C18H17F2N3O2S/c19-15-4-3-12(8-16(15)20)18(24)22-6-1-2-13(9-22)17-10-23(21-25-17)14-5-7-26-11-14/h3-5,7-8,10-11,13,21H,1-2,6,9H2/t13-/m0/s1
InChIKeyKRJHMWFNUCHEKF-ZDUSSCGKSA-N
MW377.42 g/mol
LogP3.68
Rot. Bonds3

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

(3,4-difluorophenyl)-[(3S)-3-(3-thiophen-3-yl-2H-oxadiazol-5-yl)piperidin-1-yl]methanone (PubChem CID 69109047) has the molecular formula C18H17F2N3O2S and a molecular weight of 377.42 g/mol. Its IUPAC name is (3,4-difluorophenyl)-[(3S)-3-(3-thiophen-3-yl-2H-oxadiazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-difluorophenyl)-[(3S)-3-(3-thiophen-3-yl-2H-oxadiazol-5-yl)piperidin-1-yl]methanone
PubChem CID69109047
Molecular FormulaC18H17F2N3O2S
Molecular Weight377.42 g/mol
Exact Mass377.10
IUPAC Name(3,4-difluorophenyl)-[(3S)-3-(3-thiophen-3-yl-2H-oxadiazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(F)c(F)c1)N1CCC[C@H](C2=CN(c3ccsc3)NO2)C1
InChIInChI=1S/C18H17F2N3O2S/c19-15-4-3-12(8-16(15)20)18(24)22-6-1-2-13(9-22)17-10-23(21-25-17)14-5-7-26-11-14/h3-5,7-8,10-11,13,21H,1-2,6,9H2/t13-/m0/s1
InChIKeyKRJHMWFNUCHEKF-ZDUSSCGKSA-N
XLogP3.68
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S)-3-[3-(2,6-difluorophenyl)-2H-oxadiazol-5-yl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 69108818
[3-[3-(4-fluorophenoxy)-2H-oxadiazol-5-yl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 69128453
[3-[3-(4-fluorophenyl)-2H-oxadiazol-5-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 69109071
(3,4-difluorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43422289
methyl 1-(3,4-difluorobenzoyl)piperidine-3-carboxylate
CID 78919125
methyl (3S)-1-(3,4-difluorobenzoyl)piperidine-3-carboxylate
CID 78919478
(3,4-difluorophenyl)-[(3R)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 30863585
[(3R)-3-aminopyrrolidin-1-yl]-(3,4-difluorophenyl)methanone;hydrochloride
CID 119412532
(3,4-difluorophenyl)-(4-thiophen-3-yloxypiperidin-1-yl)methanone
CID 122246206
(4-fluorophenyl)-[3-(4-fluorophenyl)piperidin-1-yl]methanone
CID 70334763
(3,4-difluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 110749741
N-[1-(3,4-difluorobenzoyl)piperidin-3-yl]acetamide
CID 47250997

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-[(3S)-3-(3-thiophen-3-yl-2H-oxadiazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (3,4-difluorophenyl)-[(3S)-3-(3-thiophen-3-yl-2H-oxadiazol-5-yl)piperidin-1-yl]methanone (CID 69109047) is (3,4-difluorophenyl)-[(3S)-3-(3-thiophen-3-yl-2H-oxadiazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3,4-difluorophenyl)-[(3S)-3-(3-thiophen-3-yl-2H-oxadiazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3,4-difluorophenyl)-[(3S)-3-(3-thiophen-3-yl-2H-oxadiazol-5-yl)piperidin-1-yl]methanone is O=C(c1ccc(F)c(F)c1)N1CCC[C@H](C2=CN(c3ccsc3)NO2)C1.
What is the InChIKey of (3,4-difluorophenyl)-[(3S)-3-(3-thiophen-3-yl-2H-oxadiazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is KRJHMWFNUCHEKF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H17F2N3O2S/c19-15-4-3-12(8-16(15)20)18(24)22-6-1-2-13(9-22)17-10-23(21-25-17)14-5-7-26-11-14/h3-5,7-8,10-11,13,21H,1-2,6,9H2/t13-/m0/s1.
What are the key properties of (3,4-difluorophenyl)-[(3S)-3-(3-thiophen-3-yl-2H-oxadiazol-5-yl)piperidin-1-yl]methanone?
(3,4-difluorophenyl)-[(3S)-3-(3-thiophen-3-yl-2H-oxadiazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 377.42 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-[(3S)-3-(3-thiophen-3-yl-2H-oxadiazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 69109047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).