(3R)-1-methyl-4-(pyrazine-2-carbonyl)-3-[(3-pyridin-3-ylphenyl)methyl]piperazin-2-one

C22H21N5O2 — CID 124970385

IUPAC(3R)-1-methyl-4-(pyrazine-2-carbonyl)-3-[(3-pyridin-3-ylphenyl)methyl]piperazin-2-one
SMILESCN1CCN(C(=O)c2cnccn2)[C@H](Cc2cccc(-c3cccnc3)c2)C1=O
InChIInChI=1S/C22H21N5O2/c1-26-10-11-27(21(28)19-15-24-8-9-25-19)20(22(26)29)13-16-4-2-5-17(12-16)18-6-3-7-23-14-18/h2-9,12,14-15,20H,10-11,13H2,1H3/t20-/m1/s1
InChIKeyJPTKCRYFLVGPRY-HXUWFJFHSA-N
MW387.44 g/mol
LogP2.06
Rot. Bonds4

About (3R)-1-methyl-4-(pyrazine-2-carbonyl)-3-[(3-pyridin-3-ylphenyl)methyl]piperazin-2-one

(3R)-1-methyl-4-(pyrazine-2-carbonyl)-3-[(3-pyridin-3-ylphenyl)methyl]piperazin-2-one (PubChem CID 124970385) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is (3R)-1-methyl-4-(pyrazine-2-carbonyl)-3-[(3-pyridin-3-ylphenyl)methyl]piperazin-2-one.

Molecular Properties

Compound Name(3R)-1-methyl-4-(pyrazine-2-carbonyl)-3-[(3-pyridin-3-ylphenyl)methyl]piperazin-2-one
PubChem CID124970385
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name(3R)-1-methyl-4-(pyrazine-2-carbonyl)-3-[(3-pyridin-3-ylphenyl)methyl]piperazin-2-one
SMILESCN1CCN(C(=O)c2cnccn2)[C@H](Cc2cccc(-c3cccnc3)c2)C1=O
InChIInChI=1S/C22H21N5O2/c1-26-10-11-27(21(28)19-15-24-8-9-25-19)20(22(26)29)13-16-4-2-5-17(12-16)18-6-3-7-23-14-18/h2-9,12,14-15,20H,10-11,13H2,1H3/t20-/m1/s1
InChIKeyJPTKCRYFLVGPRY-HXUWFJFHSA-N
XLogP2.06
TPSA79.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3R)-1-methyl-4-(pyrazine-2-carbonyl)-3-[(3-pyridin-3-ylphenyl)methyl]piperazin-2-one with MolForge

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Related Compounds

(3S)-4-(6-methoxypyridine-3-carbonyl)-1-propyl-3-[(3-pyridin-3-ylphenyl)methyl]piperazin-2-one
CID 125022011
(3S)-1-ethyl-4-(5-methylthiophene-2-carbonyl)-3-[(3-pyridin-3-ylphenyl)methyl]piperazin-2-one
CID 95812039
4-[2-(4-fluorophenyl)acetyl]-1-methyl-3-[(3-pyridin-4-ylphenyl)methyl]piperazin-2-one
CID 110088259
(3R)-4-(3-methylbutanoyl)-1-prop-2-enyl-3-[(3-pyridin-3-ylphenyl)methyl]piperazin-2-one
CID 95812055
(3R)-1-methyl-4-(2-methyl-1-benzofuran-5-carbonyl)-3-[(4-pyridin-3-ylphenyl)methyl]piperazin-2-one
CID 125025764
(3S)-4-(5-methylpyrazine-2-carbonyl)-3-[(3-phenylphenyl)methyl]-1-propylpiperazin-2-one
CID 95812111
4-(cyclopentanecarbonyl)-1-prop-2-enyl-3-[(3-pyridin-3-ylphenyl)methyl]piperazin-2-one
CID 110088291
(3R)-1-methyl-4-(6-methyl-1H-indole-2-carbonyl)-3-[(4-pyridin-3-ylphenyl)methyl]piperazin-2-one
CID 124971061
(3R)-4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]acetyl]-1-methyl-3-[(4-pyridin-3-ylphenyl)methyl]piperazin-2-one
CID 126417175
(3S)-4-(2-ethoxypyridine-3-carbonyl)-1-ethyl-3-[(3-pyridin-4-ylphenyl)methyl]piperazin-2-one
CID 95811993
4-[3-(2-methoxyphenyl)propanoyl]-1-methyl-3-[(3-pyridin-4-ylphenyl)methyl]piperazin-2-one
CID 110250479
(3R)-1-prop-2-enyl-4-(2-pyridin-3-ylacetyl)-3-[(3-pyridin-4-ylphenyl)methyl]piperazin-2-one
CID 125000136

Frequently Asked Questions

What is the IUPAC name of (3R)-1-methyl-4-(pyrazine-2-carbonyl)-3-[(3-pyridin-3-ylphenyl)methyl]piperazin-2-one?
The IUPAC name of (3R)-1-methyl-4-(pyrazine-2-carbonyl)-3-[(3-pyridin-3-ylphenyl)methyl]piperazin-2-one (CID 124970385) is (3R)-1-methyl-4-(pyrazine-2-carbonyl)-3-[(3-pyridin-3-ylphenyl)methyl]piperazin-2-one.
What is the SMILES notation for (3R)-1-methyl-4-(pyrazine-2-carbonyl)-3-[(3-pyridin-3-ylphenyl)methyl]piperazin-2-one?
The canonical SMILES for (3R)-1-methyl-4-(pyrazine-2-carbonyl)-3-[(3-pyridin-3-ylphenyl)methyl]piperazin-2-one is CN1CCN(C(=O)c2cnccn2)[C@H](Cc2cccc(-c3cccnc3)c2)C1=O.
What is the InChIKey of (3R)-1-methyl-4-(pyrazine-2-carbonyl)-3-[(3-pyridin-3-ylphenyl)methyl]piperazin-2-one?
The InChIKey is JPTKCRYFLVGPRY-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-26-10-11-27(21(28)19-15-24-8-9-25-19)20(22(26)29)13-16-4-2-5-17(12-16)18-6-3-7-23-14-18/h2-9,12,14-15,20H,10-11,13H2,1H3/t20-/m1/s1.
What are the key properties of (3R)-1-methyl-4-(pyrazine-2-carbonyl)-3-[(3-pyridin-3-ylphenyl)methyl]piperazin-2-one?
(3R)-1-methyl-4-(pyrazine-2-carbonyl)-3-[(3-pyridin-3-ylphenyl)methyl]piperazin-2-one has a molecular weight of 387.44 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-methyl-4-(pyrazine-2-carbonyl)-3-[(3-pyridin-3-ylphenyl)methyl]piperazin-2-one is sourced from PubChem (CID 124970385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).