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

C23H24FN3O2S — CID 56763912

IUPAC[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
SMILESO=C(N1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1)C1(c2cccs2)CCCC1
InChIInChI=1S/C23H24FN3O2S/c24-18-7-5-16(6-8-18)20-25-26-21(29-20)17-9-13-27(14-10-17)22(28)23(11-1-2-12-23)19-4-3-15-30-19/h3-8,15,17H,1-2,9-14H2
InChIKeyYEKGIRUEFHXBGU-UHFFFAOYSA-N
MW425.53 g/mol
LogP5.16
Rot. Bonds4

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

[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone (PubChem CID 56763912) has the molecular formula C23H24FN3O2S and a molecular weight of 425.53 g/mol. Its IUPAC name is [4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone.

Molecular Properties

Compound Name[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
PubChem CID56763912
Molecular FormulaC23H24FN3O2S
Molecular Weight425.53 g/mol
Exact Mass425.16
IUPAC Name[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
SMILESO=C(N1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1)C1(c2cccs2)CCCC1
InChIInChI=1S/C23H24FN3O2S/c24-18-7-5-16(6-8-18)20-25-26-21(29-20)17-9-13-27(14-10-17)22(28)23(11-1-2-12-23)19-4-3-15-30-19/h3-8,15,17H,1-2,9-14H2
InChIKeyYEKGIRUEFHXBGU-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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Frequently Asked Questions

What is the IUPAC name of [4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone?
The IUPAC name of [4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone (CID 56763912) is [4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone.
What is the SMILES notation for [4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone?
The canonical SMILES for [4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone is O=C(N1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1)C1(c2cccs2)CCCC1.
What is the InChIKey of [4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone?
The InChIKey is YEKGIRUEFHXBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2S/c24-18-7-5-16(6-8-18)20-25-26-21(29-20)17-9-13-27(14-10-17)22(28)23(11-1-2-12-23)19-4-3-15-30-19/h3-8,15,17H,1-2,9-14H2.
What are the key properties of [4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone?
[4-[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 [4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone is sourced from PubChem (CID 56763912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).