1-methyl-5-[[4-(thiophene-3-carbonyl)piperazin-1-yl]methyl]pyridin-2-one

C16H19N3O2S — CID 53191721

IUPAC1-methyl-5-[[4-(thiophene-3-carbonyl)piperazin-1-yl]methyl]pyridin-2-one
SMILESCn1cc(CN2CCN(C(=O)c3ccsc3)CC2)ccc1=O
InChIInChI=1S/C16H19N3O2S/c1-17-10-13(2-3-15(17)20)11-18-5-7-19(8-6-18)16(21)14-4-9-22-12-14/h2-4,9-10,12H,5-8,11H2,1H3
InChIKeyHILOTJVUHYQUQL-UHFFFAOYSA-N
MW317.41 g/mol
LogP1.40
Rot. Bonds3

About 1-methyl-5-[[4-(thiophene-3-carbonyl)piperazin-1-yl]methyl]pyridin-2-one

1-methyl-5-[[4-(thiophene-3-carbonyl)piperazin-1-yl]methyl]pyridin-2-one (PubChem CID 53191721) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 1-methyl-5-[[4-(thiophene-3-carbonyl)piperazin-1-yl]methyl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-5-[[4-(thiophene-3-carbonyl)piperazin-1-yl]methyl]pyridin-2-one
PubChem CID53191721
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name1-methyl-5-[[4-(thiophene-3-carbonyl)piperazin-1-yl]methyl]pyridin-2-one
SMILESCn1cc(CN2CCN(C(=O)c3ccsc3)CC2)ccc1=O
InChIInChI=1S/C16H19N3O2S/c1-17-10-13(2-3-15(17)20)11-18-5-7-19(8-6-18)16(21)14-4-9-22-12-14/h2-4,9-10,12H,5-8,11H2,1H3
InChIKeyHILOTJVUHYQUQL-UHFFFAOYSA-N
XLogP1.40
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[[4-(thiophene-3-carbonyl)piperazin-1-yl]methyl]pyridin-2-one?
The IUPAC name of 1-methyl-5-[[4-(thiophene-3-carbonyl)piperazin-1-yl]methyl]pyridin-2-one (CID 53191721) is 1-methyl-5-[[4-(thiophene-3-carbonyl)piperazin-1-yl]methyl]pyridin-2-one.
What is the SMILES notation for 1-methyl-5-[[4-(thiophene-3-carbonyl)piperazin-1-yl]methyl]pyridin-2-one?
The canonical SMILES for 1-methyl-5-[[4-(thiophene-3-carbonyl)piperazin-1-yl]methyl]pyridin-2-one is Cn1cc(CN2CCN(C(=O)c3ccsc3)CC2)ccc1=O.
What is the InChIKey of 1-methyl-5-[[4-(thiophene-3-carbonyl)piperazin-1-yl]methyl]pyridin-2-one?
The InChIKey is HILOTJVUHYQUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-17-10-13(2-3-15(17)20)11-18-5-7-19(8-6-18)16(21)14-4-9-22-12-14/h2-4,9-10,12H,5-8,11H2,1H3.
What are the key properties of 1-methyl-5-[[4-(thiophene-3-carbonyl)piperazin-1-yl]methyl]pyridin-2-one?
1-methyl-5-[[4-(thiophene-3-carbonyl)piperazin-1-yl]methyl]pyridin-2-one has a molecular weight of 317.41 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[[4-(thiophene-3-carbonyl)piperazin-1-yl]methyl]pyridin-2-one is sourced from PubChem (CID 53191721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).