[4-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)piperazin-1-yl]-(4-ethylphenyl)methanone

C21H24N4O4S — CID 32771092

IUPAC[4-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)piperazin-1-yl]-(4-ethylphenyl)methanone
SMILESCCc1ccc(C(=O)N2CCN(C(=O)C3=CN4CCS(=O)(=O)N=C4C=C3)CC2)cc1
InChIInChI=1S/C21H24N4O4S/c1-2-16-3-5-17(6-4-16)20(26)23-9-11-24(12-10-23)21(27)18-7-8-19-22-30(28,29)14-13-25(19)15-18/h3-8,15H,2,9-14H2,1H3
InChIKeyLQLZPQRLGZTKRE-UHFFFAOYSA-N
MW428.51 g/mol
LogP1.03
Rot. Bonds3

About [4-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)piperazin-1-yl]-(4-ethylphenyl)methanone

[4-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)piperazin-1-yl]-(4-ethylphenyl)methanone (PubChem CID 32771092) has the molecular formula C21H24N4O4S and a molecular weight of 428.51 g/mol. Its IUPAC name is [4-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)piperazin-1-yl]-(4-ethylphenyl)methanone.

Molecular Properties

Compound Name[4-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)piperazin-1-yl]-(4-ethylphenyl)methanone
PubChem CID32771092
Molecular FormulaC21H24N4O4S
Molecular Weight428.51 g/mol
Exact Mass428.15
IUPAC Name[4-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)piperazin-1-yl]-(4-ethylphenyl)methanone
SMILESCCc1ccc(C(=O)N2CCN(C(=O)C3=CN4CCS(=O)(=O)N=C4C=C3)CC2)cc1
InChIInChI=1S/C21H24N4O4S/c1-2-16-3-5-17(6-4-16)20(26)23-9-11-24(12-10-23)21(27)18-7-8-19-22-30(28,29)14-13-25(19)15-18/h3-8,15H,2,9-14H2,1H3
InChIKeyLQLZPQRLGZTKRE-UHFFFAOYSA-N
XLogP1.03
TPSA90.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)piperazin-1-yl]-(4-ethylphenyl)methanone?
The IUPAC name of [4-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)piperazin-1-yl]-(4-ethylphenyl)methanone (CID 32771092) is [4-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)piperazin-1-yl]-(4-ethylphenyl)methanone.
What is the SMILES notation for [4-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)piperazin-1-yl]-(4-ethylphenyl)methanone?
The canonical SMILES for [4-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)piperazin-1-yl]-(4-ethylphenyl)methanone is CCc1ccc(C(=O)N2CCN(C(=O)C3=CN4CCS(=O)(=O)N=C4C=C3)CC2)cc1.
What is the InChIKey of [4-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)piperazin-1-yl]-(4-ethylphenyl)methanone?
The InChIKey is LQLZPQRLGZTKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4S/c1-2-16-3-5-17(6-4-16)20(26)23-9-11-24(12-10-23)21(27)18-7-8-19-22-30(28,29)14-13-25(19)15-18/h3-8,15H,2,9-14H2,1H3.
What are the key properties of [4-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)piperazin-1-yl]-(4-ethylphenyl)methanone?
[4-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)piperazin-1-yl]-(4-ethylphenyl)methanone has a molecular weight of 428.51 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)piperazin-1-yl]-(4-ethylphenyl)methanone is sourced from PubChem (CID 32771092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).