(3R)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide

C18H20N6O2S — CID 99994286

IUPAC(3R)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
SMILESO=C(NCc1cccs1)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1
InChIInChI=1S/C18H20N6O2S/c25-18(21-10-14-4-2-8-27-14)24-7-1-3-13(12-24)9-16-22-17(23-26-16)15-11-19-5-6-20-15/h2,4-6,8,11,13H,1,3,7,9-10,12H2,(H,21,25)/t13-/m1/s1
InChIKeyWJQLOIOYYBUWGV-CYBMUJFWSA-N
MW384.47 g/mol
LogP2.75
Rot. Bonds5

About (3R)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide

(3R)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide (PubChem CID 99994286) has the molecular formula C18H20N6O2S and a molecular weight of 384.47 g/mol. Its IUPAC name is (3R)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
PubChem CID99994286
Molecular FormulaC18H20N6O2S
Molecular Weight384.47 g/mol
Exact Mass384.14
IUPAC Name(3R)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
SMILESO=C(NCc1cccs1)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1
InChIInChI=1S/C18H20N6O2S/c25-18(21-10-14-4-2-8-27-14)24-7-1-3-13(12-24)9-16-22-17(23-26-16)15-11-19-5-6-20-15/h2,4-6,8,11,13H,1,3,7,9-10,12H2,(H,21,25)/t13-/m1/s1
InChIKeyWJQLOIOYYBUWGV-CYBMUJFWSA-N
XLogP2.75
TPSA97.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.47
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of (3R)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide (CID 99994286) is (3R)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide is O=C(NCc1cccs1)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1.
What is the InChIKey of (3R)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide?
The InChIKey is WJQLOIOYYBUWGV-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20N6O2S/c25-18(21-10-14-4-2-8-27-14)24-7-1-3-13(12-24)9-16-22-17(23-26-16)15-11-19-5-6-20-15/h2,4-6,8,11,13H,1,3,7,9-10,12H2,(H,21,25)/t13-/m1/s1.
What are the key properties of (3R)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide?
(3R)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide has a molecular weight of 384.47 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 99994286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).