[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone

C23H24FN3O2S — CID 121069482

IUPAC[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
SMILESO=C(N1CCCC(c2nnc(-c3ccc(F)cc3)o2)C1)C1(c2cccs2)CCCC1
InChIInChI=1S/C23H24FN3O2S/c24-18-9-7-16(8-10-18)20-25-26-21(29-20)17-5-3-13-27(15-17)22(28)23(11-1-2-12-23)19-6-4-14-30-19/h4,6-10,14,17H,1-3,5,11-13,15H2
InChIKeySHFAZJUBDLFCBF-UHFFFAOYSA-N
MW425.53 g/mol
LogP5.16
Rot. Bonds4

About [3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone

[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone (PubChem CID 121069482) has the molecular formula C23H24FN3O2S and a molecular weight of 425.53 g/mol. Its IUPAC name is [3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone.

Molecular Properties

Compound Name[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
PubChem CID121069482
Molecular FormulaC23H24FN3O2S
Molecular Weight425.53 g/mol
Exact Mass425.16
IUPAC Name[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
SMILESO=C(N1CCCC(c2nnc(-c3ccc(F)cc3)o2)C1)C1(c2cccs2)CCCC1
InChIInChI=1S/C23H24FN3O2S/c24-18-9-7-16(8-10-18)20-25-26-21(29-20)17-5-3-13-27(15-17)22(28)23(11-1-2-12-23)19-6-4-14-30-19/h4,6-10,14,17H,1-3,5,11-13,15H2
InChIKeySHFAZJUBDLFCBF-UHFFFAOYSA-N
XLogP5.16
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.53
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-thiophen-2-ylmethanone
CID 99963540
[1-(4-chlorophenyl)cyclopentyl]-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 121068853
1-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 121069321
(4-fluorophenyl)-[(3R)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 93492617
[(3R)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 99963542
1-[(3S)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one
CID 99963533
(3R)-N-(4-fluorophenyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide
CID 30863766
[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 121069334
(4-fluorophenyl)-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 132654703
(E)-1-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-3-phenylprop-2-en-1-one
CID 121069385
(3-phenylazepan-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone
CID 121130907
(3-aminopiperidin-1-yl)-(1-thiophen-2-ylcyclohexyl)methanone
CID 119380014

Frequently Asked Questions

What is the IUPAC name of [3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone?
The IUPAC name of [3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone (CID 121069482) is [3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone.
What is the SMILES notation for [3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone?
The canonical SMILES for [3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone is O=C(N1CCCC(c2nnc(-c3ccc(F)cc3)o2)C1)C1(c2cccs2)CCCC1.
What is the InChIKey of [3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone?
The InChIKey is SHFAZJUBDLFCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2S/c24-18-9-7-16(8-10-18)20-25-26-21(29-20)17-5-3-13-27(15-17)22(28)23(11-1-2-12-23)19-6-4-14-30-19/h4,6-10,14,17H,1-3,5,11-13,15H2.
What are the key properties of [3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone?
[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone has a molecular weight of 425.53 g/mol, XLogP of 5.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone is sourced from PubChem (CID 121069482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).