(2R)-N-[(1S)-1-(1,2,4-oxadiazol-3-yl)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide

C17H20N4O3 — CID 124590772

IUPAC(2R)-N-[(1S)-1-(1,2,4-oxadiazol-3-yl)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
SMILESC[C@H](NC(=O)[C@@H](c1ccccc1)N1CCCCC1=O)c1ncon1
InChIInChI=1S/C17H20N4O3/c1-12(16-18-11-24-20-16)19-17(23)15(13-7-3-2-4-8-13)21-10-6-5-9-14(21)22/h2-4,7-8,11-12,15H,5-6,9-10H2,1H3,(H,19,23)/t12-,15+/m0/s1
InChIKeyMPRSYCPXEYTSNK-SWLSCSKDSA-N
MW328.37 g/mol
LogP2.00
Rot. Bonds5

About (2R)-N-[(1S)-1-(1,2,4-oxadiazol-3-yl)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide

(2R)-N-[(1S)-1-(1,2,4-oxadiazol-3-yl)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide (PubChem CID 124590772) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is (2R)-N-[(1S)-1-(1,2,4-oxadiazol-3-yl)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-[(1S)-1-(1,2,4-oxadiazol-3-yl)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
PubChem CID124590772
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name(2R)-N-[(1S)-1-(1,2,4-oxadiazol-3-yl)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
SMILESC[C@H](NC(=O)[C@@H](c1ccccc1)N1CCCCC1=O)c1ncon1
InChIInChI=1S/C17H20N4O3/c1-12(16-18-11-24-20-16)19-17(23)15(13-7-3-2-4-8-13)21-10-6-5-9-14(21)22/h2-4,7-8,11-12,15H,5-6,9-10H2,1H3,(H,19,23)/t12-,15+/m0/s1
InChIKeyMPRSYCPXEYTSNK-SWLSCSKDSA-N
XLogP2.00
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S)-1-(1,2,4-oxadiazol-3-yl)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The IUPAC name of (2R)-N-[(1S)-1-(1,2,4-oxadiazol-3-yl)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide (CID 124590772) is (2R)-N-[(1S)-1-(1,2,4-oxadiazol-3-yl)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide.
What is the SMILES notation for (2R)-N-[(1S)-1-(1,2,4-oxadiazol-3-yl)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The canonical SMILES for (2R)-N-[(1S)-1-(1,2,4-oxadiazol-3-yl)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide is C[C@H](NC(=O)[C@@H](c1ccccc1)N1CCCCC1=O)c1ncon1.
What is the InChIKey of (2R)-N-[(1S)-1-(1,2,4-oxadiazol-3-yl)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The InChIKey is MPRSYCPXEYTSNK-SWLSCSKDSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-12(16-18-11-24-20-16)19-17(23)15(13-7-3-2-4-8-13)21-10-6-5-9-14(21)22/h2-4,7-8,11-12,15H,5-6,9-10H2,1H3,(H,19,23)/t12-,15+/m0/s1.
What are the key properties of (2R)-N-[(1S)-1-(1,2,4-oxadiazol-3-yl)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
(2R)-N-[(1S)-1-(1,2,4-oxadiazol-3-yl)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide has a molecular weight of 328.37 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S)-1-(1,2,4-oxadiazol-3-yl)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide is sourced from PubChem (CID 124590772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).