4-[(2-cyclohexylpyrimidin-5-yl)methyl]-1-(3-methoxyphenyl)piperazin-2-one

C22H28N4O2 — CID 70739233

IUPAC4-[(2-cyclohexylpyrimidin-5-yl)methyl]-1-(3-methoxyphenyl)piperazin-2-one
SMILESCOc1cccc(N2CCN(Cc3cnc(C4CCCCC4)nc3)CC2=O)c1
InChIInChI=1S/C22H28N4O2/c1-28-20-9-5-8-19(12-20)26-11-10-25(16-21(26)27)15-17-13-23-22(24-14-17)18-6-3-2-4-7-18/h5,8-9,12-14,18H,2-4,6-7,10-11,15-16H2,1H3
InChIKeyONEQLPNCSBXUSP-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.38
Rot. Bonds5

About 4-[(2-cyclohexylpyrimidin-5-yl)methyl]-1-(3-methoxyphenyl)piperazin-2-one

4-[(2-cyclohexylpyrimidin-5-yl)methyl]-1-(3-methoxyphenyl)piperazin-2-one (PubChem CID 70739233) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 4-[(2-cyclohexylpyrimidin-5-yl)methyl]-1-(3-methoxyphenyl)piperazin-2-one.

Molecular Properties

Compound Name4-[(2-cyclohexylpyrimidin-5-yl)methyl]-1-(3-methoxyphenyl)piperazin-2-one
PubChem CID70739233
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name4-[(2-cyclohexylpyrimidin-5-yl)methyl]-1-(3-methoxyphenyl)piperazin-2-one
SMILESCOc1cccc(N2CCN(Cc3cnc(C4CCCCC4)nc3)CC2=O)c1
InChIInChI=1S/C22H28N4O2/c1-28-20-9-5-8-19(12-20)26-11-10-25(16-21(26)27)15-17-13-23-22(24-14-17)18-6-3-2-4-7-18/h5,8-9,12-14,18H,2-4,6-7,10-11,15-16H2,1H3
InChIKeyONEQLPNCSBXUSP-UHFFFAOYSA-N
XLogP3.38
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methoxyphenyl)-4-[[(3R)-oxan-3-yl]methyl]piperazin-2-one
CID 124755306
1-(3-methoxyphenyl)-4-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperazin-2-one
CID 42514944
4-(2-hydroxybutyl)-1-(3-methoxyphenyl)piperazin-2-one
CID 70737370
1-cyclohexyl-4-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperazin-2-one
CID 46963062
1-(3-methoxyphenyl)-4-[3-[(2R)-1-methylpiperidin-2-yl]propanoyl]piperazin-2-one
CID 97188104
1-(3-methoxyphenyl)-4-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]piperazin-2-one
CID 29253890
4-[(2-fluoro-5-methoxyphenyl)methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 126796157
1-(3,5-dimethylphenyl)-4-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]piperazin-2-one
CID 56895855
1-cycloheptyl-4-[(3-methoxyphenyl)methyl]piperazine
CID 877620
3-[(3S)-1-[(2-cyclohexylpyrimidin-5-yl)methyl]piperidin-3-yl]benzoic acid
CID 97199508
4-(6-aminopyridine-3-carbonyl)-1-(3-methoxyphenyl)piperazin-2-one
CID 70717844
(4R)-4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 29129258

Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyclohexylpyrimidin-5-yl)methyl]-1-(3-methoxyphenyl)piperazin-2-one?
The IUPAC name of 4-[(2-cyclohexylpyrimidin-5-yl)methyl]-1-(3-methoxyphenyl)piperazin-2-one (CID 70739233) is 4-[(2-cyclohexylpyrimidin-5-yl)methyl]-1-(3-methoxyphenyl)piperazin-2-one.
What is the SMILES notation for 4-[(2-cyclohexylpyrimidin-5-yl)methyl]-1-(3-methoxyphenyl)piperazin-2-one?
The canonical SMILES for 4-[(2-cyclohexylpyrimidin-5-yl)methyl]-1-(3-methoxyphenyl)piperazin-2-one is COc1cccc(N2CCN(Cc3cnc(C4CCCCC4)nc3)CC2=O)c1.
What is the InChIKey of 4-[(2-cyclohexylpyrimidin-5-yl)methyl]-1-(3-methoxyphenyl)piperazin-2-one?
The InChIKey is ONEQLPNCSBXUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-28-20-9-5-8-19(12-20)26-11-10-25(16-21(26)27)15-17-13-23-22(24-14-17)18-6-3-2-4-7-18/h5,8-9,12-14,18H,2-4,6-7,10-11,15-16H2,1H3.
What are the key properties of 4-[(2-cyclohexylpyrimidin-5-yl)methyl]-1-(3-methoxyphenyl)piperazin-2-one?
4-[(2-cyclohexylpyrimidin-5-yl)methyl]-1-(3-methoxyphenyl)piperazin-2-one has a molecular weight of 380.49 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyclohexylpyrimidin-5-yl)methyl]-1-(3-methoxyphenyl)piperazin-2-one is sourced from PubChem (CID 70739233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).