1-[2-[4-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione

C18H21N5O6S — CID 55821277

About 1-[2-[4-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione

1-[2-[4-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione (PubChem CID 55821277) has the molecular formula C18H21N5O6S and a molecular weight of 435.46 g/mol. Its IUPAC name is 1-[2-[4-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione.

Molecular Properties

• Compound Name: 1-[2-[4-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
• PubChem CID: 55821277
• Molecular Formula: C18H21N5O6S
• Molecular Weight: 435.46 g/mol
• Exact Mass: 435.12
• IUPAC Name: 1-[2-[4-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
• SMILES: O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)CC1
• InChI: InChI=1S/C18H21N5O6S/c24-15-3-4-16(25)23(15)12-17(26)20-5-7-21(8-6-20)18(27)13-1-2-14-19-30(28,29)10-9-22(14)11-13/h1-2,11H,3-10,12H2
• InChIKey: KGXILDDAGAOMIB-UHFFFAOYSA-N
• XLogP: -1.70
• TPSA: 127.74 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.46
LogP ≤ 5	-1.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?

The IUPAC name of 1-[2-[4-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione (CID 55821277) is 1-[2-[4-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione.

What is the SMILES notation for 1-[2-[4-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?

The canonical SMILES for 1-[2-[4-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione is O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)CC1.

What is the InChIKey of 1-[2-[4-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?

The InChIKey is KGXILDDAGAOMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O6S/c24-15-3-4-16(25)23(15)12-17(26)20-5-7-21(8-6-20)18(27)13-1-2-14-19-30(28,29)10-9-22(14)11-13/h1-2,11H,3-10,12H2.

What are the key properties of 1-[2-[4-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?

1-[2-[4-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione has a molecular weight of 435.46 g/mol, XLogP of -1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[4-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 55821277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).