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

C17H24N4O2S — CID 52952507

IUPAC(2S)-2-amino-4-methyl-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-one
SMILESCC(C)C[C@H](N)C(=O)N1CCC(c2nc(-c3cccs3)no2)CC1
InChIInChI=1S/C17H24N4O2S/c1-11(2)10-13(18)17(22)21-7-5-12(6-8-21)16-19-15(20-23-16)14-4-3-9-24-14/h3-4,9,11-13H,5-8,10,18H2,1-2H3/t13-/m0/s1
InChIKeyCBHIJMVGOYIOHY-ZDUSSCGKSA-N
MW348.47 g/mol
LogP2.88
Rot. Bonds5

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

(2S)-2-amino-4-methyl-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-one (PubChem CID 52952507) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-one
PubChem CID52952507
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name(2S)-2-amino-4-methyl-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-one
SMILESCC(C)C[C@H](N)C(=O)N1CCC(c2nc(-c3cccs3)no2)CC1
InChIInChI=1S/C17H24N4O2S/c1-11(2)10-13(18)17(22)21-7-5-12(6-8-21)16-19-15(20-23-16)14-4-3-9-24-14/h3-4,9,11-13H,5-8,10,18H2,1-2H3/t13-/m0/s1
InChIKeyCBHIJMVGOYIOHY-ZDUSSCGKSA-N
XLogP2.88
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-one?
The IUPAC name of (2S)-2-amino-4-methyl-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-one (CID 52952507) is (2S)-2-amino-4-methyl-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-one.
What is the SMILES notation for (2S)-2-amino-4-methyl-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-one?
The canonical SMILES for (2S)-2-amino-4-methyl-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-one is CC(C)C[C@H](N)C(=O)N1CCC(c2nc(-c3cccs3)no2)CC1.
What is the InChIKey of (2S)-2-amino-4-methyl-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-one?
The InChIKey is CBHIJMVGOYIOHY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-11(2)10-13(18)17(22)21-7-5-12(6-8-21)16-19-15(20-23-16)14-4-3-9-24-14/h3-4,9,11-13H,5-8,10,18H2,1-2H3/t13-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-one?
(2S)-2-amino-4-methyl-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-one has a molecular weight of 348.47 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-one is sourced from PubChem (CID 52952507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).