1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-one

C16H21N3O2S — CID 52952410

IUPAC1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCC(c2nc(-c3cccs3)no2)CC1
InChIInChI=1S/C16H21N3O2S/c1-2-3-6-14(20)19-9-7-12(8-10-19)16-17-15(18-21-16)13-5-4-11-22-13/h4-5,11-12H,2-3,6-10H2,1H3
InChIKeyMYZNIBUGRPRVJA-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.69
Rot. Bonds5

About 1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-one

1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-one (PubChem CID 52952410) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is 1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-one.

Molecular Properties

Compound Name1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-one
PubChem CID52952410
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCC(c2nc(-c3cccs3)no2)CC1
InChIInChI=1S/C16H21N3O2S/c1-2-3-6-14(20)19-9-7-12(8-10-19)16-17-15(18-21-16)13-5-4-11-22-13/h4-5,11-12H,2-3,6-10H2,1H3
InChIKeyMYZNIBUGRPRVJA-UHFFFAOYSA-N
XLogP3.69
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-one with MolForge

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Related Compounds

1-(Thiophen-2-ylacetyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidine
CID 1453694
4-Methyl-1-[4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pentan-1-one
CID 24804103
2-Phenyl-1-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}ethanone
CID 1453697
1-(Azidoacetyl)-4-(3-Thiophen-2-Yl-1,2,4-Oxadiazol-5-Yl)piperidine
CID 24802759
Bdm-31343
CID 24804431
1-{[3-(2-Thienyl)-1,2,4-oxadiazol-5-yl]methyl}-4-piperidinecarboxamide
CID 2811320
4,4,4-Trifluoro-1-(4-(3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl)piperidin-1-yl)butan-1-one
CID 24804428
2-Cyclopropyl-1-[4-(3-thiophen-2-yl-[1,2,4]oxadiazol-5-yl)-piperidin-1-yl]-ethanone
CID 52952509
2-Cyclopentyl-1-[4-(3-thiophen-2-yl-[1,2,4]oxadiazol-5-yl)-piperidin-1-yl]-ethanone
CID 52952510
2-Cyclohexyl-1-[4-(3-thiophen-2-yl-[1,2,4]oxadiazol-5-yl)-piperidin-1-yl]-ethanone
CID 52952612
Tert-butyl 4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate
CID 18690028
2-Methyl-1-[3-(3-thiophen-2-yl-[1,2,4]oxadiazol-5-yl)-piperidin-1-yl]-butan-1-one
CID 3226254

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-one?
The IUPAC name of 1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-one (CID 52952410) is 1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-one.
What is the SMILES notation for 1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-one?
The canonical SMILES for 1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-one is CCCCC(=O)N1CCC(c2nc(-c3cccs3)no2)CC1.
What is the InChIKey of 1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-one?
The InChIKey is MYZNIBUGRPRVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-2-3-6-14(20)19-9-7-12(8-10-19)16-17-15(18-21-16)13-5-4-11-22-13/h4-5,11-12H,2-3,6-10H2,1H3.
What are the key properties of 1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-one?
1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-one has a molecular weight of 319.43 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-one is sourced from PubChem (CID 52952410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).