1-phenyl-3-pyridin-4-yl-4-(2-thiophen-2-ylethyl)piperazine-2,5-dione

C21H19N3O2S — CID 53188423

IUPAC1-phenyl-3-pyridin-4-yl-4-(2-thiophen-2-ylethyl)piperazine-2,5-dione
SMILESO=C1C(c2ccncc2)N(CCc2cccs2)C(=O)CN1c1ccccc1
InChIInChI=1S/C21H19N3O2S/c25-19-15-24(17-5-2-1-3-6-17)21(26)20(16-8-11-22-12-9-16)23(19)13-10-18-7-4-14-27-18/h1-9,11-12,14,20H,10,13,15H2
InChIKeyGXYQETGFEUYUDD-UHFFFAOYSA-N
MW377.47 g/mol
LogP3.30
Rot. Bonds5

About 1-phenyl-3-pyridin-4-yl-4-(2-thiophen-2-ylethyl)piperazine-2,5-dione

1-phenyl-3-pyridin-4-yl-4-(2-thiophen-2-ylethyl)piperazine-2,5-dione (PubChem CID 53188423) has the molecular formula C21H19N3O2S and a molecular weight of 377.47 g/mol. Its IUPAC name is 1-phenyl-3-pyridin-4-yl-4-(2-thiophen-2-ylethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-phenyl-3-pyridin-4-yl-4-(2-thiophen-2-ylethyl)piperazine-2,5-dione
PubChem CID53188423
Molecular FormulaC21H19N3O2S
Molecular Weight377.47 g/mol
Exact Mass377.12
IUPAC Name1-phenyl-3-pyridin-4-yl-4-(2-thiophen-2-ylethyl)piperazine-2,5-dione
SMILESO=C1C(c2ccncc2)N(CCc2cccs2)C(=O)CN1c1ccccc1
InChIInChI=1S/C21H19N3O2S/c25-19-15-24(17-5-2-1-3-6-17)21(26)20(16-8-11-22-12-9-16)23(19)13-10-18-7-4-14-27-18/h1-9,11-12,14,20H,10,13,15H2
InChIKeyGXYQETGFEUYUDD-UHFFFAOYSA-N
XLogP3.30
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-pyridin-4-yl-4-(2-thiophen-2-ylethyl)piperazine-2,5-dione?
The IUPAC name of 1-phenyl-3-pyridin-4-yl-4-(2-thiophen-2-ylethyl)piperazine-2,5-dione (CID 53188423) is 1-phenyl-3-pyridin-4-yl-4-(2-thiophen-2-ylethyl)piperazine-2,5-dione.
What is the SMILES notation for 1-phenyl-3-pyridin-4-yl-4-(2-thiophen-2-ylethyl)piperazine-2,5-dione?
The canonical SMILES for 1-phenyl-3-pyridin-4-yl-4-(2-thiophen-2-ylethyl)piperazine-2,5-dione is O=C1C(c2ccncc2)N(CCc2cccs2)C(=O)CN1c1ccccc1.
What is the InChIKey of 1-phenyl-3-pyridin-4-yl-4-(2-thiophen-2-ylethyl)piperazine-2,5-dione?
The InChIKey is GXYQETGFEUYUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2S/c25-19-15-24(17-5-2-1-3-6-17)21(26)20(16-8-11-22-12-9-16)23(19)13-10-18-7-4-14-27-18/h1-9,11-12,14,20H,10,13,15H2.
What are the key properties of 1-phenyl-3-pyridin-4-yl-4-(2-thiophen-2-ylethyl)piperazine-2,5-dione?
1-phenyl-3-pyridin-4-yl-4-(2-thiophen-2-ylethyl)piperazine-2,5-dione has a molecular weight of 377.47 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-pyridin-4-yl-4-(2-thiophen-2-ylethyl)piperazine-2,5-dione is sourced from PubChem (CID 53188423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).