5-(4-acetylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrazine-2-carboxamide

C16H23N5O4S — CID 109279189

IUPAC5-(4-acetylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrazine-2-carboxamide
SMILESCC(=O)N1CCN(c2cnc(C(=O)N(C)C3CCS(=O)(=O)C3)cn2)CC1
InChIInChI=1S/C16H23N5O4S/c1-12(22)20-4-6-21(7-5-20)15-10-17-14(9-18-15)16(23)19(2)13-3-8-26(24,25)11-13/h9-10,13H,3-8,11H2,1-2H3
InChIKeyLQXVCODNHBTBGU-UHFFFAOYSA-N
MW381.46 g/mol
LogP-0.60
Rot. Bonds3

About 5-(4-acetylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrazine-2-carboxamide

5-(4-acetylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrazine-2-carboxamide (PubChem CID 109279189) has the molecular formula C16H23N5O4S and a molecular weight of 381.46 g/mol. Its IUPAC name is 5-(4-acetylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(4-acetylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrazine-2-carboxamide
PubChem CID109279189
Molecular FormulaC16H23N5O4S
Molecular Weight381.46 g/mol
Exact Mass381.15
IUPAC Name5-(4-acetylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrazine-2-carboxamide
SMILESCC(=O)N1CCN(c2cnc(C(=O)N(C)C3CCS(=O)(=O)C3)cn2)CC1
InChIInChI=1S/C16H23N5O4S/c1-12(22)20-4-6-21(7-5-20)15-10-17-14(9-18-15)16(23)19(2)13-3-8-26(24,25)11-13/h9-10,13H,3-8,11H2,1-2H3
InChIKeyLQXVCODNHBTBGU-UHFFFAOYSA-N
XLogP-0.60
TPSA103.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 5-0.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-(4-acetylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrimidine-4-carboxamide
CID 109345883
4-(4-acetylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-2-carboxamide
CID 109209169
N-(1,1-dioxothiolan-3-yl)-N-methyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111762
5-(4-acetylpiperazin-1-yl)-N,N-dipropylpyrazine-2-carboxamide
CID 109279210
1-[4-[2-[(1,1-dioxothiolan-3-yl)-methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112914842
N-(1,1-dioxothiolan-3-yl)-N-methyl-5-(N-methylanilino)pyrazine-2-carboxamide
CID 109285341
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 109249417
N-(1,1-dioxothiolan-3-yl)-5-(ethylamino)-N-methylpyridine-2-carboxamide
CID 104640345
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 109298262
N-(1,1-dioxothiolan-3-yl)-N-methyl-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide
CID 109285387
5-N-(1,1-dioxothiolan-3-yl)-5-N-methylpyridine-2,5-dicarboxamide
CID 47460685
N-(1,1-dioxothiolan-3-yl)-2-(4-ethylpiperazin-1-yl)-N-methylpyridine-4-carboxamide
CID 109168738

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrazine-2-carboxamide?
The IUPAC name of 5-(4-acetylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrazine-2-carboxamide (CID 109279189) is 5-(4-acetylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrazine-2-carboxamide.
What is the SMILES notation for 5-(4-acetylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrazine-2-carboxamide?
The canonical SMILES for 5-(4-acetylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrazine-2-carboxamide is CC(=O)N1CCN(c2cnc(C(=O)N(C)C3CCS(=O)(=O)C3)cn2)CC1.
What is the InChIKey of 5-(4-acetylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrazine-2-carboxamide?
The InChIKey is LQXVCODNHBTBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O4S/c1-12(22)20-4-6-21(7-5-20)15-10-17-14(9-18-15)16(23)19(2)13-3-8-26(24,25)11-13/h9-10,13H,3-8,11H2,1-2H3.
What are the key properties of 5-(4-acetylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrazine-2-carboxamide?
5-(4-acetylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrazine-2-carboxamide has a molecular weight of 381.46 g/mol, XLogP of -0.60, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrazine-2-carboxamide is sourced from PubChem (CID 109279189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).