1-(2-chlorophenyl)-5-methyl-4-(5-methylpyrazine-2-carbonyl)piperazin-2-one

C17H17ClN4O2 — CID 70729331

IUPAC1-(2-chlorophenyl)-5-methyl-4-(5-methylpyrazine-2-carbonyl)piperazin-2-one
SMILESCc1cnc(C(=O)N2CC(=O)N(c3ccccc3Cl)CC2C)cn1
InChIInChI=1S/C17H17ClN4O2/c1-11-7-20-14(8-19-11)17(24)21-10-16(23)22(9-12(21)2)15-6-4-3-5-13(15)18/h3-8,12H,9-10H2,1-2H3
InChIKeyNZPJJVPKJASLRY-UHFFFAOYSA-N
MW344.80 g/mol
LogP2.32
Rot. Bonds2

About 1-(2-chlorophenyl)-5-methyl-4-(5-methylpyrazine-2-carbonyl)piperazin-2-one

1-(2-chlorophenyl)-5-methyl-4-(5-methylpyrazine-2-carbonyl)piperazin-2-one (PubChem CID 70729331) has the molecular formula C17H17ClN4O2 and a molecular weight of 344.80 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-5-methyl-4-(5-methylpyrazine-2-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)-5-methyl-4-(5-methylpyrazine-2-carbonyl)piperazin-2-one
PubChem CID70729331
Molecular FormulaC17H17ClN4O2
Molecular Weight344.80 g/mol
Exact Mass344.10
IUPAC Name1-(2-chlorophenyl)-5-methyl-4-(5-methylpyrazine-2-carbonyl)piperazin-2-one
SMILESCc1cnc(C(=O)N2CC(=O)N(c3ccccc3Cl)CC2C)cn1
InChIInChI=1S/C17H17ClN4O2/c1-11-7-20-14(8-19-11)17(24)21-10-16(23)22(9-12(21)2)15-6-4-3-5-13(15)18/h3-8,12H,9-10H2,1-2H3
InChIKeyNZPJJVPKJASLRY-UHFFFAOYSA-N
XLogP2.32
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-5-methyl-4-(5-methylpyrazine-2-carbonyl)piperazin-2-one?
The IUPAC name of 1-(2-chlorophenyl)-5-methyl-4-(5-methylpyrazine-2-carbonyl)piperazin-2-one (CID 70729331) is 1-(2-chlorophenyl)-5-methyl-4-(5-methylpyrazine-2-carbonyl)piperazin-2-one.
What is the SMILES notation for 1-(2-chlorophenyl)-5-methyl-4-(5-methylpyrazine-2-carbonyl)piperazin-2-one?
The canonical SMILES for 1-(2-chlorophenyl)-5-methyl-4-(5-methylpyrazine-2-carbonyl)piperazin-2-one is Cc1cnc(C(=O)N2CC(=O)N(c3ccccc3Cl)CC2C)cn1.
What is the InChIKey of 1-(2-chlorophenyl)-5-methyl-4-(5-methylpyrazine-2-carbonyl)piperazin-2-one?
The InChIKey is NZPJJVPKJASLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O2/c1-11-7-20-14(8-19-11)17(24)21-10-16(23)22(9-12(21)2)15-6-4-3-5-13(15)18/h3-8,12H,9-10H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-5-methyl-4-(5-methylpyrazine-2-carbonyl)piperazin-2-one?
1-(2-chlorophenyl)-5-methyl-4-(5-methylpyrazine-2-carbonyl)piperazin-2-one has a molecular weight of 344.80 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-5-methyl-4-(5-methylpyrazine-2-carbonyl)piperazin-2-one is sourced from PubChem (CID 70729331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).