(2R)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-thiophen-3-ylacetic acid

C14H17N3O3S — CID 164642362

IUPAC(2R)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-thiophen-3-ylacetic acid
SMILESCc1noc(C2CCN([C@@H](C(=O)O)c3ccsc3)CC2)n1
InChIInChI=1S/C14H17N3O3S/c1-9-15-13(20-16-9)10-2-5-17(6-3-10)12(14(18)19)11-4-7-21-8-11/h4,7-8,10,12H,2-3,5-6H2,1H3,(H,18,19)/t12-/m1/s1
InChIKeySBYAPOIRWQTBAP-GFCCVEGCSA-N
MW307.38 g/mol
LogP2.44
Rot. Bonds4

About (2R)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-thiophen-3-ylacetic acid

(2R)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-thiophen-3-ylacetic acid (PubChem CID 164642362) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is (2R)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-thiophen-3-ylacetic acid.

Molecular Properties

Compound Name(2R)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-thiophen-3-ylacetic acid
PubChem CID164642362
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name(2R)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-thiophen-3-ylacetic acid
SMILESCc1noc(C2CCN([C@@H](C(=O)O)c3ccsc3)CC2)n1
InChIInChI=1S/C14H17N3O3S/c1-9-15-13(20-16-9)10-2-5-17(6-3-10)12(14(18)19)11-4-7-21-8-11/h4,7-8,10,12H,2-3,5-6H2,1H3,(H,18,19)/t12-/m1/s1
InChIKeySBYAPOIRWQTBAP-GFCCVEGCSA-N
XLogP2.44
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-phenylacetamide
CID 94571895
methyl (2R)-2-(4-fluorophenyl)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetate
CID 95280296
2-(4-methoxycarbonylpiperidin-1-yl)-2-thiophen-3-ylacetic acid
CID 84749119
2-(4-cyclopropylsulfonylpiperazin-1-yl)-2-thiophen-3-ylacetic acid
CID 136555489
2-[(3aR,5R,7aS)-5-hydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-2-thiophen-3-ylacetic acid
CID 138032676
2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-(1-thiophen-2-ylethyl)acetamide
CID 146124572
(2S)-1-[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-thiophen-3-ylpropan-1-one
CID 97021448
3-methyl-5-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole
CID 133291332
(5-chlorothiophen-2-yl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 136577922
2-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-2-thiophen-3-ylacetic acid
CID 136550586
[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 47444332
2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-phenylethanol
CID 110903115

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-thiophen-3-ylacetic acid?
The IUPAC name of (2R)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-thiophen-3-ylacetic acid (CID 164642362) is (2R)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-thiophen-3-ylacetic acid.
What is the SMILES notation for (2R)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-thiophen-3-ylacetic acid?
The canonical SMILES for (2R)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-thiophen-3-ylacetic acid is Cc1noc(C2CCN([C@@H](C(=O)O)c3ccsc3)CC2)n1.
What is the InChIKey of (2R)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-thiophen-3-ylacetic acid?
The InChIKey is SBYAPOIRWQTBAP-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-9-15-13(20-16-9)10-2-5-17(6-3-10)12(14(18)19)11-4-7-21-8-11/h4,7-8,10,12H,2-3,5-6H2,1H3,(H,18,19)/t12-/m1/s1.
What are the key properties of (2R)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-thiophen-3-ylacetic acid?
(2R)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-thiophen-3-ylacetic acid has a molecular weight of 307.38 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-thiophen-3-ylacetic acid is sourced from PubChem (CID 164642362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).