1-(cyclohexanecarbonyl)-4-(2-phenylethyl)-2H-pyrazin-3-one

C19H24N2O2 — CID 4124841

IUPAC1-(cyclohexanecarbonyl)-4-(2-phenylethyl)-2H-pyrazin-3-one
SMILESO=C1CN(C(=O)C2CCCCC2)C=CN1CCc1ccccc1
InChIInChI=1S/C19H24N2O2/c22-18-15-21(19(23)17-9-5-2-6-10-17)14-13-20(18)12-11-16-7-3-1-4-8-16/h1,3-4,7-8,13-14,17H,2,5-6,9-12,15H2
InChIKeyYQDMALZEUTXXHW-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.95
Rot. Bonds4

About 1-(cyclohexanecarbonyl)-4-(2-phenylethyl)-2H-pyrazin-3-one

1-(cyclohexanecarbonyl)-4-(2-phenylethyl)-2H-pyrazin-3-one (PubChem CID 4124841) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-(cyclohexanecarbonyl)-4-(2-phenylethyl)-2H-pyrazin-3-one.

Molecular Properties

Compound Name1-(cyclohexanecarbonyl)-4-(2-phenylethyl)-2H-pyrazin-3-one
PubChem CID4124841
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name1-(cyclohexanecarbonyl)-4-(2-phenylethyl)-2H-pyrazin-3-one
SMILESO=C1CN(C(=O)C2CCCCC2)C=CN1CCc1ccccc1
InChIInChI=1S/C19H24N2O2/c22-18-15-21(19(23)17-9-5-2-6-10-17)14-13-20(18)12-11-16-7-3-1-4-8-16/h1,3-4,7-8,13-14,17H,2,5-6,9-12,15H2
InChIKeyYQDMALZEUTXXHW-UHFFFAOYSA-N
XLogP2.95
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-benzylpiperidin-4-yl)-1-(cyclohexanecarbonyl)-2H-pyrazin-3-one;hydrochloride
CID 67037631
1-cyclohexyl-4-phenylbutan-1-one
CID 11481636
[(4aR,8aS)-6-(2-phenylethyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl]-cyclohexylmethanone
CID 56855222
cyclopentyl(1H-isoquinolin-2-yl)methanone
CID 69095892
2-(cyclobutanecarbonyl)-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45238173
(2S)-N-[(1S)-1-cyclohexyl-2-[4-(3,3-diphenylpropyl)-3-oxo-2H-pyrazin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide
CID 53329492
N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]cyclobutanecarboxamide
CID 45195311
2-(2-phenylethyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 17359933
[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-cyclohexylmethanone
CID 113074560
4-(cyclopentanecarbonyl)-N-(2-phenylethyl)piperazine-1-carboxamide
CID 23819080
(3S)-4-(cyclohexylmethyl)-3-methyl-1-(2-phenylethyl)piperazine-2,5-dione
CID 164689037
cyclopentyl 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate
CID 71904507

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexanecarbonyl)-4-(2-phenylethyl)-2H-pyrazin-3-one?
The IUPAC name of 1-(cyclohexanecarbonyl)-4-(2-phenylethyl)-2H-pyrazin-3-one (CID 4124841) is 1-(cyclohexanecarbonyl)-4-(2-phenylethyl)-2H-pyrazin-3-one.
What is the SMILES notation for 1-(cyclohexanecarbonyl)-4-(2-phenylethyl)-2H-pyrazin-3-one?
The canonical SMILES for 1-(cyclohexanecarbonyl)-4-(2-phenylethyl)-2H-pyrazin-3-one is O=C1CN(C(=O)C2CCCCC2)C=CN1CCc1ccccc1.
What is the InChIKey of 1-(cyclohexanecarbonyl)-4-(2-phenylethyl)-2H-pyrazin-3-one?
The InChIKey is YQDMALZEUTXXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c22-18-15-21(19(23)17-9-5-2-6-10-17)14-13-20(18)12-11-16-7-3-1-4-8-16/h1,3-4,7-8,13-14,17H,2,5-6,9-12,15H2.
What are the key properties of 1-(cyclohexanecarbonyl)-4-(2-phenylethyl)-2H-pyrazin-3-one?
1-(cyclohexanecarbonyl)-4-(2-phenylethyl)-2H-pyrazin-3-one has a molecular weight of 312.41 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexanecarbonyl)-4-(2-phenylethyl)-2H-pyrazin-3-one is sourced from PubChem (CID 4124841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).