(6S)-6-methyl-1-(2-methylphenyl)-4-(3-pyrazin-2-ylpropanoyl)piperazin-2-one

C19H22N4O2 — CID 42190295

IUPAC(6S)-6-methyl-1-(2-methylphenyl)-4-(3-pyrazin-2-ylpropanoyl)piperazin-2-one
SMILESCc1ccccc1N1C(=O)CN(C(=O)CCc2cnccn2)C[C@@H]1C
InChIInChI=1S/C19H22N4O2/c1-14-5-3-4-6-17(14)23-15(2)12-22(13-19(23)25)18(24)8-7-16-11-20-9-10-21-16/h3-6,9-11,15H,7-8,12-13H2,1-2H3/t15-/m0/s1
InChIKeyMGWXNVYCNCNQEX-HNNXBMFYSA-N
MW338.41 g/mol
LogP1.98
Rot. Bonds4

About (6S)-6-methyl-1-(2-methylphenyl)-4-(3-pyrazin-2-ylpropanoyl)piperazin-2-one

(6S)-6-methyl-1-(2-methylphenyl)-4-(3-pyrazin-2-ylpropanoyl)piperazin-2-one (PubChem CID 42190295) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is (6S)-6-methyl-1-(2-methylphenyl)-4-(3-pyrazin-2-ylpropanoyl)piperazin-2-one.

Molecular Properties

Compound Name(6S)-6-methyl-1-(2-methylphenyl)-4-(3-pyrazin-2-ylpropanoyl)piperazin-2-one
PubChem CID42190295
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name(6S)-6-methyl-1-(2-methylphenyl)-4-(3-pyrazin-2-ylpropanoyl)piperazin-2-one
SMILESCc1ccccc1N1C(=O)CN(C(=O)CCc2cnccn2)C[C@@H]1C
InChIInChI=1S/C19H22N4O2/c1-14-5-3-4-6-17(14)23-15(2)12-22(13-19(23)25)18(24)8-7-16-11-20-9-10-21-16/h3-6,9-11,15H,7-8,12-13H2,1-2H3/t15-/m0/s1
InChIKeyMGWXNVYCNCNQEX-HNNXBMFYSA-N
XLogP1.98
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5S)-3-benzyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-pyrazin-2-ylpropan-1-one
CID 164690611
1-benzyl-4-(3-pyrazin-2-ylpropanoyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one
CID 45164788
1-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-3-pyrazin-2-ylpropan-1-one
CID 72909963
(6R)-4-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]-6-methyl-1-(2-methylphenyl)piperazin-2-one
CID 42371911
(6S)-4-[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]-6-methyl-1-(2-methylphenyl)piperazin-2-one
CID 42461213
6-[(3-methoxyphenyl)methoxy]-4-(3-pyrazin-2-ylpropanoyl)-1-(pyridin-2-ylmethyl)-1,4-diazepan-2-one
CID 45165381
(4aS,8aR)-1-(2-methylpropyl)-6-(3-pyrazin-2-ylpropanoyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 56897896
1-[(2S)-2-(naphthalen-1-ylmethyl)morpholin-4-yl]-3-pyrazin-2-ylpropan-1-one
CID 25460624
(3S)-3-phenyl-1-(3-pyrazin-2-ylpropanoyl)pyrrolidine-3-carboxylic acid
CID 126445524
1-[3-(4-phenoxybenzoyl)piperidin-1-yl]-3-pyrazin-2-ylpropan-1-one
CID 45241198
3-(2,4-dimethylphenyl)-1-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 135119858
4-[1-(3-pyrazin-2-ylpropanoyl)piperidin-3-yl]benzoic acid
CID 119068614

Frequently Asked Questions

What is the IUPAC name of (6S)-6-methyl-1-(2-methylphenyl)-4-(3-pyrazin-2-ylpropanoyl)piperazin-2-one?
The IUPAC name of (6S)-6-methyl-1-(2-methylphenyl)-4-(3-pyrazin-2-ylpropanoyl)piperazin-2-one (CID 42190295) is (6S)-6-methyl-1-(2-methylphenyl)-4-(3-pyrazin-2-ylpropanoyl)piperazin-2-one.
What is the SMILES notation for (6S)-6-methyl-1-(2-methylphenyl)-4-(3-pyrazin-2-ylpropanoyl)piperazin-2-one?
The canonical SMILES for (6S)-6-methyl-1-(2-methylphenyl)-4-(3-pyrazin-2-ylpropanoyl)piperazin-2-one is Cc1ccccc1N1C(=O)CN(C(=O)CCc2cnccn2)C[C@@H]1C.
What is the InChIKey of (6S)-6-methyl-1-(2-methylphenyl)-4-(3-pyrazin-2-ylpropanoyl)piperazin-2-one?
The InChIKey is MGWXNVYCNCNQEX-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-14-5-3-4-6-17(14)23-15(2)12-22(13-19(23)25)18(24)8-7-16-11-20-9-10-21-16/h3-6,9-11,15H,7-8,12-13H2,1-2H3/t15-/m0/s1.
What are the key properties of (6S)-6-methyl-1-(2-methylphenyl)-4-(3-pyrazin-2-ylpropanoyl)piperazin-2-one?
(6S)-6-methyl-1-(2-methylphenyl)-4-(3-pyrazin-2-ylpropanoyl)piperazin-2-one has a molecular weight of 338.41 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-methyl-1-(2-methylphenyl)-4-(3-pyrazin-2-ylpropanoyl)piperazin-2-one is sourced from PubChem (CID 42190295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).