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

C17H23N3O2S — CID 95734726

IUPAC1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
SMILESCC(C)c1nc([C@H]2CCCN(C(=O)CCc3cccs3)C2)no1
InChIInChI=1S/C17H23N3O2S/c1-12(2)17-18-16(19-22-17)13-5-3-9-20(11-13)15(21)8-7-14-6-4-10-23-14/h4,6,10,12-13H,3,5,7-9,11H2,1-2H3/t13-/m0/s1
InChIKeyUMTRJABXMREUGO-ZDUSSCGKSA-N
MW333.46 g/mol
LogP3.59
Rot. Bonds5

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

1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one (PubChem CID 95734726) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is 1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
PubChem CID95734726
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
SMILESCC(C)c1nc([C@H]2CCCN(C(=O)CCc3cccs3)C2)no1
InChIInChI=1S/C17H23N3O2S/c1-12(2)17-18-16(19-22-17)13-5-3-9-20(11-13)15(21)8-7-14-6-4-10-23-14/h4,6,10,12-13H,3,5,7-9,11H2,1-2H3/t13-/m0/s1
InChIKeyUMTRJABXMREUGO-ZDUSSCGKSA-N
XLogP3.59
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 95578538
1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 127247595
3-imidazol-1-yl-1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one
CID 95734905
1-[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 99849724
1-[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 99849723
1-[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 124981783
N-propan-2-yl-1-(3-thiophen-2-ylpropanoyl)piperidine-3-carboxamide
CID 91953826
4-(2-methylimidazol-1-yl)-1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]butan-1-one
CID 95734906
(2S)-1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-thiophen-3-ylpropan-1-one
CID 95773712
(2R)-2-phenyl-1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]butan-1-one
CID 95734769
furan-2-yl-[(3R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95734780
1-[3-(hydroxymethyl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 43422310

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one?
The IUPAC name of 1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one (CID 95734726) is 1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one?
The canonical SMILES for 1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one is CC(C)c1nc([C@H]2CCCN(C(=O)CCc3cccs3)C2)no1.
What is the InChIKey of 1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one?
The InChIKey is UMTRJABXMREUGO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-12(2)17-18-16(19-22-17)13-5-3-9-20(11-13)15(21)8-7-14-6-4-10-23-14/h4,6,10,12-13H,3,5,7-9,11H2,1-2H3/t13-/m0/s1.
What are the key properties of 1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one?
1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one has a molecular weight of 333.46 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 95734726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).