1-(cyclohexylmethyl)-4-(3-methylphenyl)pyrazine-2,3-dione

C18H22N2O2 — CID 163349752

IUPAC1-(cyclohexylmethyl)-4-(3-methylphenyl)pyrazine-2,3-dione
SMILESCc1cccc(-n2ccn(CC3CCCCC3)c(=O)c2=O)c1
InChIInChI=1S/C18H22N2O2/c1-14-6-5-9-16(12-14)20-11-10-19(17(21)18(20)22)13-15-7-3-2-4-8-15/h5-6,9-12,15H,2-4,7-8,13H2,1H3
InChIKeyLANDFTPCTFDXHB-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.89
Rot. Bonds3

About 1-(cyclohexylmethyl)-4-(3-methylphenyl)pyrazine-2,3-dione

1-(cyclohexylmethyl)-4-(3-methylphenyl)pyrazine-2,3-dione (PubChem CID 163349752) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-4-(3-methylphenyl)pyrazine-2,3-dione.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-4-(3-methylphenyl)pyrazine-2,3-dione
PubChem CID163349752
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name1-(cyclohexylmethyl)-4-(3-methylphenyl)pyrazine-2,3-dione
SMILESCc1cccc(-n2ccn(CC3CCCCC3)c(=O)c2=O)c1
InChIInChI=1S/C18H22N2O2/c1-14-6-5-9-16(12-14)20-11-10-19(17(21)18(20)22)13-15-7-3-2-4-8-15/h5-6,9-12,15H,2-4,7-8,13H2,1H3
InChIKeyLANDFTPCTFDXHB-UHFFFAOYSA-N
XLogP2.89
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-(cyclohexylmethyl)-4-(3-fluoro-4-methoxyphenyl)pyrazine-2,3-dione
CID 172906014
1-(cyclopropylmethyl)-4-(3,4-difluorophenyl)pyrazine-2,3-dione
CID 163346803
1-(cyclopentylmethyl)-3-methylpyridin-2-one
CID 115746868
1-(cyclopentylmethyl)pyridin-2-one
CID 115582447
4-[(E)-2-(3-methylphenyl)ethenyl]-1-(piperidin-4-ylmethyl)pyridin-2-one
CID 94757606
1-(2-cyclohexylethyl)-4-(3-methylphenyl)piperazine
CID 173113720
1-(3,4-dimethoxyphenyl)-4-[(3-methylphenyl)methyl]pyrazine-2,3-dione
CID 22520485
N-cyclohexyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113159467
1-(cyclopentylmethyl)-5-methylpyridin-2-one
CID 167142146
1-(3-fluorophenyl)-4-propylpyrazine-2,3-dione
CID 163349855
5-(cyclohexylmethyl)-1-(3,5-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 112772732
2-[1,3-bis(3-methylphenyl)-3a,4,5,6,7,7a-hexahydrobenzimidazol-2-ylidene]-1,3-bis(3-methylphenyl)-3a,4,5,6,7,7a-hexahydrobenzimidazole
CID 118135713

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-4-(3-methylphenyl)pyrazine-2,3-dione?
The IUPAC name of 1-(cyclohexylmethyl)-4-(3-methylphenyl)pyrazine-2,3-dione (CID 163349752) is 1-(cyclohexylmethyl)-4-(3-methylphenyl)pyrazine-2,3-dione.
What is the SMILES notation for 1-(cyclohexylmethyl)-4-(3-methylphenyl)pyrazine-2,3-dione?
The canonical SMILES for 1-(cyclohexylmethyl)-4-(3-methylphenyl)pyrazine-2,3-dione is Cc1cccc(-n2ccn(CC3CCCCC3)c(=O)c2=O)c1.
What is the InChIKey of 1-(cyclohexylmethyl)-4-(3-methylphenyl)pyrazine-2,3-dione?
The InChIKey is LANDFTPCTFDXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-14-6-5-9-16(12-14)20-11-10-19(17(21)18(20)22)13-15-7-3-2-4-8-15/h5-6,9-12,15H,2-4,7-8,13H2,1H3.
What are the key properties of 1-(cyclohexylmethyl)-4-(3-methylphenyl)pyrazine-2,3-dione?
1-(cyclohexylmethyl)-4-(3-methylphenyl)pyrazine-2,3-dione has a molecular weight of 298.39 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-4-(3-methylphenyl)pyrazine-2,3-dione is sourced from PubChem (CID 163349752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).