4-[3-(oxolan-3-yl)benzoyl]-3-thiophen-2-ylpiperazin-2-one

C19H20N2O3S — CID 127683926

IUPAC4-[3-(oxolan-3-yl)benzoyl]-3-thiophen-2-ylpiperazin-2-one
SMILESO=C1NCCN(C(=O)c2cccc(C3CCOC3)c2)C1c1cccs1
InChIInChI=1S/C19H20N2O3S/c22-18-17(16-5-2-10-25-16)21(8-7-20-18)19(23)14-4-1-3-13(11-14)15-6-9-24-12-15/h1-5,10-11,15,17H,6-9,12H2,(H,20,22)
InChIKeyJLWGCRJXUYVIJX-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.57
Rot. Bonds3

About 4-[3-(oxolan-3-yl)benzoyl]-3-thiophen-2-ylpiperazin-2-one

4-[3-(oxolan-3-yl)benzoyl]-3-thiophen-2-ylpiperazin-2-one (PubChem CID 127683926) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is 4-[3-(oxolan-3-yl)benzoyl]-3-thiophen-2-ylpiperazin-2-one.

Molecular Properties

Compound Name4-[3-(oxolan-3-yl)benzoyl]-3-thiophen-2-ylpiperazin-2-one
PubChem CID127683926
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC Name4-[3-(oxolan-3-yl)benzoyl]-3-thiophen-2-ylpiperazin-2-one
SMILESO=C1NCCN(C(=O)c2cccc(C3CCOC3)c2)C1c1cccs1
InChIInChI=1S/C19H20N2O3S/c22-18-17(16-5-2-10-25-16)21(8-7-20-18)19(23)14-4-1-3-13(11-14)15-6-9-24-12-15/h1-5,10-11,15,17H,6-9,12H2,(H,20,22)
InChIKeyJLWGCRJXUYVIJX-UHFFFAOYSA-N
XLogP2.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(oxolan-3-yl)benzoyl]-3-thiophen-2-ylpiperazin-2-one?
The IUPAC name of 4-[3-(oxolan-3-yl)benzoyl]-3-thiophen-2-ylpiperazin-2-one (CID 127683926) is 4-[3-(oxolan-3-yl)benzoyl]-3-thiophen-2-ylpiperazin-2-one.
What is the SMILES notation for 4-[3-(oxolan-3-yl)benzoyl]-3-thiophen-2-ylpiperazin-2-one?
The canonical SMILES for 4-[3-(oxolan-3-yl)benzoyl]-3-thiophen-2-ylpiperazin-2-one is O=C1NCCN(C(=O)c2cccc(C3CCOC3)c2)C1c1cccs1.
What is the InChIKey of 4-[3-(oxolan-3-yl)benzoyl]-3-thiophen-2-ylpiperazin-2-one?
The InChIKey is JLWGCRJXUYVIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c22-18-17(16-5-2-10-25-16)21(8-7-20-18)19(23)14-4-1-3-13(11-14)15-6-9-24-12-15/h1-5,10-11,15,17H,6-9,12H2,(H,20,22).
What are the key properties of 4-[3-(oxolan-3-yl)benzoyl]-3-thiophen-2-ylpiperazin-2-one?
4-[3-(oxolan-3-yl)benzoyl]-3-thiophen-2-ylpiperazin-2-one has a molecular weight of 356.45 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(oxolan-3-yl)benzoyl]-3-thiophen-2-ylpiperazin-2-one is sourced from PubChem (CID 127683926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).