1-cyclopent-2-en-1-yl-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone

C18H21N3O2S — CID 24804269

IUPAC1-cyclopent-2-en-1-yl-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
SMILESO=C(CN1CCC(c2nc(-c3cccs3)no2)CC1)C1C=CCC1
InChIInChI=1S/C18H21N3O2S/c22-15(13-4-1-2-5-13)12-21-9-7-14(8-10-21)18-19-17(20-23-18)16-6-3-11-24-16/h1,3-4,6,11,13-14H,2,5,7-10,12H2
InChIKeyNMQUSPSYQFPWJU-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.51
Rot. Bonds5

About 1-cyclopent-2-en-1-yl-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone

1-cyclopent-2-en-1-yl-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone (PubChem CID 24804269) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is 1-cyclopent-2-en-1-yl-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-cyclopent-2-en-1-yl-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
PubChem CID24804269
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name1-cyclopent-2-en-1-yl-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
SMILESO=C(CN1CCC(c2nc(-c3cccs3)no2)CC1)C1C=CCC1
InChIInChI=1S/C18H21N3O2S/c22-15(13-4-1-2-5-13)12-21-9-7-14(8-10-21)18-19-17(20-23-18)16-6-3-11-24-16/h1,3-4,6,11,13-14H,2,5,7-10,12H2
InChIKeyNMQUSPSYQFPWJU-UHFFFAOYSA-N
XLogP3.51
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(2-amino-1,3-thiazol-4-yl)-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 24804749
1-(2H-tetrazol-5-yl)-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 24804752
2-thiophen-2-yl-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 1453694
2-(2-methylphenyl)-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 52952293
2-(2-fluorophenyl)-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 52952084
5-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 92574708
5-[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 92574707
2-(2-bicyclo[2.2.1]heptanyl)-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 67251435
1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone
CID 52952191
dimethyl-[1-[2-oxo-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]triazol-4-yl]silanylium
CID 143603365
4,4,4-trifluoro-1-[(3S)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]butan-1-one
CID 52952732
5-[1-(quinolin-2-ylmethyl)pyrrolidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 46956703

Frequently Asked Questions

What is the IUPAC name of 1-cyclopent-2-en-1-yl-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone?
The IUPAC name of 1-cyclopent-2-en-1-yl-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone (CID 24804269) is 1-cyclopent-2-en-1-yl-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-cyclopent-2-en-1-yl-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-cyclopent-2-en-1-yl-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone is O=C(CN1CCC(c2nc(-c3cccs3)no2)CC1)C1C=CCC1.
What is the InChIKey of 1-cyclopent-2-en-1-yl-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone?
The InChIKey is NMQUSPSYQFPWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c22-15(13-4-1-2-5-13)12-21-9-7-14(8-10-21)18-19-17(20-23-18)16-6-3-11-24-16/h1,3-4,6,11,13-14H,2,5,7-10,12H2.
What are the key properties of 1-cyclopent-2-en-1-yl-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone?
1-cyclopent-2-en-1-yl-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone has a molecular weight of 343.45 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopent-2-en-1-yl-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 24804269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).