(5R)-5-methyl-1-(4-methylphenyl)-4-(pyrazine-2-carbonyl)piperazin-2-one

C17H18N4O2 — CID 96582107

IUPAC(5R)-5-methyl-1-(4-methylphenyl)-4-(pyrazine-2-carbonyl)piperazin-2-one
SMILESCc1ccc(N2C[C@@H](C)N(C(=O)c3cnccn3)CC2=O)cc1
InChIInChI=1S/C17H18N4O2/c1-12-3-5-14(6-4-12)21-10-13(2)20(11-16(21)22)17(23)15-9-18-7-8-19-15/h3-9,13H,10-11H2,1-2H3/t13-/m1/s1
InChIKeyKCVZZKQVORMDIN-CYBMUJFWSA-N
MW310.36 g/mol
LogP1.66
Rot. Bonds2

About (5R)-5-methyl-1-(4-methylphenyl)-4-(pyrazine-2-carbonyl)piperazin-2-one

(5R)-5-methyl-1-(4-methylphenyl)-4-(pyrazine-2-carbonyl)piperazin-2-one (PubChem CID 96582107) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is (5R)-5-methyl-1-(4-methylphenyl)-4-(pyrazine-2-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name(5R)-5-methyl-1-(4-methylphenyl)-4-(pyrazine-2-carbonyl)piperazin-2-one
PubChem CID96582107
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name(5R)-5-methyl-1-(4-methylphenyl)-4-(pyrazine-2-carbonyl)piperazin-2-one
SMILESCc1ccc(N2C[C@@H](C)N(C(=O)c3cnccn3)CC2=O)cc1
InChIInChI=1S/C17H18N4O2/c1-12-3-5-14(6-4-12)21-10-13(2)20(11-16(21)22)17(23)15-9-18-7-8-19-15/h3-9,13H,10-11H2,1-2H3/t13-/m1/s1
InChIKeyKCVZZKQVORMDIN-CYBMUJFWSA-N
XLogP1.66
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-4-(2-methoxypyridine-4-carbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 96582112
5-[(2S)-2-methyl-4-(4-methylphenyl)-5-oxopiperazine-1-carbonyl]-1H-pyrimidin-6-one
CID 96576291
(5S)-4-(cyclopropanecarbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 96576154
4-(cyclopentanecarbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 70743002
(5S)-4-(2-acetylbenzoyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 96577871
(5R)-4-(2-ethoxypyridine-3-carbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 96580033
5-methyl-1-(4-methylphenyl)-4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-2-one
CID 70751338
(5S)-4-(1,3-benzodioxole-5-carbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 96574586
(5R)-5-methyl-1-(4-methylphenyl)-4-(3-phenyl-1,2-oxazole-5-carbonyl)piperazin-2-one
CID 96577215
(5S)-4-(2-fluoro-6-methoxybenzoyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 97041649
1-(4-chlorophenyl)-5-methyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-2-one
CID 70775777
5-methyl-1-(4-methylphenyl)-4-(3-methylsulfonylpropanoyl)piperazin-2-one
CID 70759970

Frequently Asked Questions

What is the IUPAC name of (5R)-5-methyl-1-(4-methylphenyl)-4-(pyrazine-2-carbonyl)piperazin-2-one?
The IUPAC name of (5R)-5-methyl-1-(4-methylphenyl)-4-(pyrazine-2-carbonyl)piperazin-2-one (CID 96582107) is (5R)-5-methyl-1-(4-methylphenyl)-4-(pyrazine-2-carbonyl)piperazin-2-one.
What is the SMILES notation for (5R)-5-methyl-1-(4-methylphenyl)-4-(pyrazine-2-carbonyl)piperazin-2-one?
The canonical SMILES for (5R)-5-methyl-1-(4-methylphenyl)-4-(pyrazine-2-carbonyl)piperazin-2-one is Cc1ccc(N2C[C@@H](C)N(C(=O)c3cnccn3)CC2=O)cc1.
What is the InChIKey of (5R)-5-methyl-1-(4-methylphenyl)-4-(pyrazine-2-carbonyl)piperazin-2-one?
The InChIKey is KCVZZKQVORMDIN-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-12-3-5-14(6-4-12)21-10-13(2)20(11-16(21)22)17(23)15-9-18-7-8-19-15/h3-9,13H,10-11H2,1-2H3/t13-/m1/s1.
What are the key properties of (5R)-5-methyl-1-(4-methylphenyl)-4-(pyrazine-2-carbonyl)piperazin-2-one?
(5R)-5-methyl-1-(4-methylphenyl)-4-(pyrazine-2-carbonyl)piperazin-2-one has a molecular weight of 310.36 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyl-1-(4-methylphenyl)-4-(pyrazine-2-carbonyl)piperazin-2-one is sourced from PubChem (CID 96582107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).