1-[[1-(3-cyclohexylpropanoyl)-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-5-(1H-pyrazol-5-yl)pyrazin-2-one

C24H35N5O3 — CID 146671325

IUPAC1-[[1-(3-cyclohexylpropanoyl)-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-5-(1H-pyrazol-5-yl)pyrazin-2-one
SMILESCC1(C)CN(C(=O)CCC2CCCCC2)CCC1(O)Cn1cc(-c2ccn[nH]2)ncc1=O
InChIInChI=1S/C24H35N5O3/c1-23(2)16-28(21(30)9-8-18-6-4-3-5-7-18)13-11-24(23,32)17-29-15-20(25-14-22(29)31)19-10-12-26-27-19/h10,12,14-15,18,32H,3-9,11,13,16-17H2,1-2H3,(H,26,27)
InChIKeyWNGBPEVYFKRWSE-UHFFFAOYSA-N
MW441.58 g/mol
LogP2.98
Rot. Bonds6

About 1-[[1-(3-cyclohexylpropanoyl)-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-5-(1H-pyrazol-5-yl)pyrazin-2-one

1-[[1-(3-cyclohexylpropanoyl)-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-5-(1H-pyrazol-5-yl)pyrazin-2-one (PubChem CID 146671325) has the molecular formula C24H35N5O3 and a molecular weight of 441.58 g/mol. Its IUPAC name is 1-[[1-(3-cyclohexylpropanoyl)-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-5-(1H-pyrazol-5-yl)pyrazin-2-one.

Molecular Properties

Compound Name1-[[1-(3-cyclohexylpropanoyl)-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-5-(1H-pyrazol-5-yl)pyrazin-2-one
PubChem CID146671325
Molecular FormulaC24H35N5O3
Molecular Weight441.58 g/mol
Exact Mass441.27
IUPAC Name1-[[1-(3-cyclohexylpropanoyl)-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-5-(1H-pyrazol-5-yl)pyrazin-2-one
SMILESCC1(C)CN(C(=O)CCC2CCCCC2)CCC1(O)Cn1cc(-c2ccn[nH]2)ncc1=O
InChIInChI=1S/C24H35N5O3/c1-23(2)16-28(21(30)9-8-18-6-4-3-5-7-18)13-11-24(23,32)17-29-15-20(25-14-22(29)31)19-10-12-26-27-19/h10,12,14-15,18,32H,3-9,11,13,16-17H2,1-2H3,(H,26,27)
InChIKeyWNGBPEVYFKRWSE-UHFFFAOYSA-N
XLogP2.98
TPSA104.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

US11053213, Example 133
CID 134218673
US11807646, Example 17
CID 139375389
3-[[1-(3-cyclohexylpropanoyl)-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-6-(1H-pyrazol-5-yl)pyrimidin-4-one
CID 134218671
3-[[1-(3-cyclohexyl-2-methylpropanoyl)-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-6-(1H-pyrazol-5-yl)pyrimidin-4-one
CID 139346927
1-[(4-hydroxy-1,3,3-trimethylpiperidin-4-yl)methyl]-5-(1H-pyrazol-5-yl)pyrazin-2-one
CID 139375399
1-[[1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-5-(1H-pyrazol-5-yl)-2H-pyrazine-3-carbaldehyde
CID 146671324
1-[[1-(3-cyclohexyl-2-methylpropanoyl)-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-5-(1H-pyrazol-5-yl)pyrazin-2-one
CID 156135491
(2R)-3-cyclohexyl-1-[4-hydroxy-3,3-dimethyl-4-[[6-methylidene-4-(1H-pyrazol-5-yl)pyrimidin-1-yl]methyl]piperidin-1-yl]-2-methylpropan-1-one
CID 163915959

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(3-cyclohexylpropanoyl)-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-5-(1H-pyrazol-5-yl)pyrazin-2-one?
The IUPAC name of 1-[[1-(3-cyclohexylpropanoyl)-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-5-(1H-pyrazol-5-yl)pyrazin-2-one (CID 146671325) is 1-[[1-(3-cyclohexylpropanoyl)-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-5-(1H-pyrazol-5-yl)pyrazin-2-one.
What is the SMILES notation for 1-[[1-(3-cyclohexylpropanoyl)-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-5-(1H-pyrazol-5-yl)pyrazin-2-one?
The canonical SMILES for 1-[[1-(3-cyclohexylpropanoyl)-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-5-(1H-pyrazol-5-yl)pyrazin-2-one is CC1(C)CN(C(=O)CCC2CCCCC2)CCC1(O)Cn1cc(-c2ccn[nH]2)ncc1=O.
What is the InChIKey of 1-[[1-(3-cyclohexylpropanoyl)-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-5-(1H-pyrazol-5-yl)pyrazin-2-one?
The InChIKey is WNGBPEVYFKRWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O3/c1-23(2)16-28(21(30)9-8-18-6-4-3-5-7-18)13-11-24(23,32)17-29-15-20(25-14-22(29)31)19-10-12-26-27-19/h10,12,14-15,18,32H,3-9,11,13,16-17H2,1-2H3,(H,26,27).
What are the key properties of 1-[[1-(3-cyclohexylpropanoyl)-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-5-(1H-pyrazol-5-yl)pyrazin-2-one?
1-[[1-(3-cyclohexylpropanoyl)-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-5-(1H-pyrazol-5-yl)pyrazin-2-one has a molecular weight of 441.58 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(3-cyclohexylpropanoyl)-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-5-(1H-pyrazol-5-yl)pyrazin-2-one is sourced from PubChem (CID 146671325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).