(5R,6R)-1-methyl-6-thiophen-2-yl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-2-one

C16H15N3O2S2 — CID 97221755

IUPAC(5R,6R)-1-methyl-6-thiophen-2-yl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-2-one
SMILESCN1C(=O)CC[C@@H](c2nc(-c3cccs3)no2)[C@@H]1c1cccs1
InChIInChI=1S/C16H15N3O2S2/c1-19-13(20)7-6-10(14(19)11-4-2-8-22-11)16-17-15(18-21-16)12-5-3-9-23-12/h2-5,8-10,14H,6-7H2,1H3/t10-,14-/m1/s1
InChIKeyQQXMKGDRYWCYTB-QMTHXVAHSA-N
MW345.45 g/mol
LogP3.94
Rot. Bonds3

About (5R,6R)-1-methyl-6-thiophen-2-yl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-2-one

(5R,6R)-1-methyl-6-thiophen-2-yl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-2-one (PubChem CID 97221755) has the molecular formula C16H15N3O2S2 and a molecular weight of 345.45 g/mol. Its IUPAC name is (5R,6R)-1-methyl-6-thiophen-2-yl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-2-one.

Molecular Properties

Compound Name(5R,6R)-1-methyl-6-thiophen-2-yl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-2-one
PubChem CID97221755
Molecular FormulaC16H15N3O2S2
Molecular Weight345.45 g/mol
Exact Mass345.06
IUPAC Name(5R,6R)-1-methyl-6-thiophen-2-yl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-2-one
SMILESCN1C(=O)CC[C@@H](c2nc(-c3cccs3)no2)[C@@H]1c1cccs1
InChIInChI=1S/C16H15N3O2S2/c1-19-13(20)7-6-10(14(19)11-4-2-8-22-11)16-17-15(18-21-16)12-5-3-9-23-12/h2-5,8-10,14H,6-7H2,1H3/t10-,14-/m1/s1
InChIKeyQQXMKGDRYWCYTB-QMTHXVAHSA-N
XLogP3.94
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5R,6R)-1-methyl-6-thiophen-2-yl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-2-one?
The IUPAC name of (5R,6R)-1-methyl-6-thiophen-2-yl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-2-one (CID 97221755) is (5R,6R)-1-methyl-6-thiophen-2-yl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-2-one.
What is the SMILES notation for (5R,6R)-1-methyl-6-thiophen-2-yl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-2-one?
The canonical SMILES for (5R,6R)-1-methyl-6-thiophen-2-yl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-2-one is CN1C(=O)CC[C@@H](c2nc(-c3cccs3)no2)[C@@H]1c1cccs1.
What is the InChIKey of (5R,6R)-1-methyl-6-thiophen-2-yl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-2-one?
The InChIKey is QQXMKGDRYWCYTB-QMTHXVAHSA-N. The full InChI is InChI=1S/C16H15N3O2S2/c1-19-13(20)7-6-10(14(19)11-4-2-8-22-11)16-17-15(18-21-16)12-5-3-9-23-12/h2-5,8-10,14H,6-7H2,1H3/t10-,14-/m1/s1.
What are the key properties of (5R,6R)-1-methyl-6-thiophen-2-yl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-2-one?
(5R,6R)-1-methyl-6-thiophen-2-yl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-2-one has a molecular weight of 345.45 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-1-methyl-6-thiophen-2-yl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-2-one is sourced from PubChem (CID 97221755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).