4-(cyclohexanecarbonyl)-6-phenyl-3-propan-2-yl-1,3-dihydropyrazin-2-one

C20H26N2O2 — CID 22284800

IUPAC4-(cyclohexanecarbonyl)-6-phenyl-3-propan-2-yl-1,3-dihydropyrazin-2-one
SMILESCC(C)C1C(=O)NC(c2ccccc2)=CN1C(=O)C1CCCCC1
InChIInChI=1S/C20H26N2O2/c1-14(2)18-19(23)21-17(15-9-5-3-6-10-15)13-22(18)20(24)16-11-7-4-8-12-16/h3,5-6,9-10,13-14,16,18H,4,7-8,11-12H2,1-2H3,(H,21,23)
InChIKeyOHDGQTKARDGTMR-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.55
Rot. Bonds3

About 4-(cyclohexanecarbonyl)-6-phenyl-3-propan-2-yl-1,3-dihydropyrazin-2-one

4-(cyclohexanecarbonyl)-6-phenyl-3-propan-2-yl-1,3-dihydropyrazin-2-one (PubChem CID 22284800) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 4-(cyclohexanecarbonyl)-6-phenyl-3-propan-2-yl-1,3-dihydropyrazin-2-one.

Molecular Properties

Compound Name4-(cyclohexanecarbonyl)-6-phenyl-3-propan-2-yl-1,3-dihydropyrazin-2-one
PubChem CID22284800
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name4-(cyclohexanecarbonyl)-6-phenyl-3-propan-2-yl-1,3-dihydropyrazin-2-one
SMILESCC(C)C1C(=O)NC(c2ccccc2)=CN1C(=O)C1CCCCC1
InChIInChI=1S/C20H26N2O2/c1-14(2)18-19(23)21-17(15-9-5-3-6-10-15)13-22(18)20(24)16-11-7-4-8-12-16/h3,5-6,9-10,13-14,16,18H,4,7-8,11-12H2,1-2H3,(H,21,23)
InChIKeyOHDGQTKARDGTMR-UHFFFAOYSA-N
XLogP3.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 90759835
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(2R)-1-cyclohexyl-2-phenylpropan-1-one
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1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2,2-diphenylethanone
CID 108533858
cyclopentyl-(4-phenylphenyl)methanone
CID 43337740
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CID 146007151
cyclohexanecarboxylic acid;(1R)-1-phenylethanamine
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(3S)-N,N-dimethyl-2-oxo-3-propan-2-yl-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxamide
CID 163293110
4-(3-phenylbenzoyl)-3-propan-2-ylpiperazin-2-one
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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexanecarbonyl)-6-phenyl-3-propan-2-yl-1,3-dihydropyrazin-2-one?
The IUPAC name of 4-(cyclohexanecarbonyl)-6-phenyl-3-propan-2-yl-1,3-dihydropyrazin-2-one (CID 22284800) is 4-(cyclohexanecarbonyl)-6-phenyl-3-propan-2-yl-1,3-dihydropyrazin-2-one.
What is the SMILES notation for 4-(cyclohexanecarbonyl)-6-phenyl-3-propan-2-yl-1,3-dihydropyrazin-2-one?
The canonical SMILES for 4-(cyclohexanecarbonyl)-6-phenyl-3-propan-2-yl-1,3-dihydropyrazin-2-one is CC(C)C1C(=O)NC(c2ccccc2)=CN1C(=O)C1CCCCC1.
What is the InChIKey of 4-(cyclohexanecarbonyl)-6-phenyl-3-propan-2-yl-1,3-dihydropyrazin-2-one?
The InChIKey is OHDGQTKARDGTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-14(2)18-19(23)21-17(15-9-5-3-6-10-15)13-22(18)20(24)16-11-7-4-8-12-16/h3,5-6,9-10,13-14,16,18H,4,7-8,11-12H2,1-2H3,(H,21,23).
What are the key properties of 4-(cyclohexanecarbonyl)-6-phenyl-3-propan-2-yl-1,3-dihydropyrazin-2-one?
4-(cyclohexanecarbonyl)-6-phenyl-3-propan-2-yl-1,3-dihydropyrazin-2-one has a molecular weight of 326.44 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexanecarbonyl)-6-phenyl-3-propan-2-yl-1,3-dihydropyrazin-2-one is sourced from PubChem (CID 22284800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).