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

C25H37N5O3 — CID 139375389

IUPAC1-[[1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-5-(1H-pyrazol-5-yl)pyrazin-2-one
SMILESC[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cc(-c3ccn[nH]3)ncc2=O)C(C)(C)C1
InChIInChI=1S/C25H37N5O3/c1-18(13-19-7-5-4-6-8-19)23(32)29-12-10-25(33,24(2,3)16-29)17-30-15-21(26-14-22(30)31)20-9-11-27-28-20/h9,11,14-15,18-19,33H,4-8,10,12-13,16-17H2,1-3H3,(H,27,28)/t18-,25?/m1/s1
InChIKeyVAUGMTYDXFKMSX-YDONVPIESA-N
MW455.60 g/mol
LogP3.23
Rot. Bonds6

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

1-[[1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-5-(1H-pyrazol-5-yl)pyrazin-2-one (PubChem CID 139375389) has the molecular formula C25H37N5O3 and a molecular weight of 455.60 g/mol. Its IUPAC name is 1-[[1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-5-(1H-pyrazol-5-yl)pyrazin-2-one.

Molecular Properties

Compound Name1-[[1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-5-(1H-pyrazol-5-yl)pyrazin-2-one
PubChem CID139375389
Molecular FormulaC25H37N5O3
Molecular Weight455.60 g/mol
Exact Mass455.29
IUPAC Name1-[[1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-5-(1H-pyrazol-5-yl)pyrazin-2-one
SMILESC[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cc(-c3ccn[nH]3)ncc2=O)C(C)(C)C1
InChIInChI=1S/C25H37N5O3/c1-18(13-19-7-5-4-6-8-19)23(32)29-12-10-25(33,24(2,3)16-29)17-30-15-21(26-14-22(30)31)20-9-11-27-28-20/h9,11,14-15,18-19,33H,4-8,10,12-13,16-17H2,1-3H3,(H,27,28)/t18-,25?/m1/s1
InChIKeyVAUGMTYDXFKMSX-YDONVPIESA-N
XLogP3.23
TPSA104.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.60
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[[1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-5-(1H-pyrazol-5-yl)pyrazin-2-one with MolForge

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Launch Full Analysis

Related Compounds

US11053213, Example 133
CID 134218673
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-cyclohexylpropanoyl)-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-5-(1H-pyrazol-5-yl)pyrazin-2-one
CID 146671325
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-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-5-(1H-pyrazol-5-yl)pyrazin-2-one?
The IUPAC name of 1-[[1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-5-(1H-pyrazol-5-yl)pyrazin-2-one (CID 139375389) is 1-[[1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-5-(1H-pyrazol-5-yl)pyrazin-2-one.
What is the SMILES notation for 1-[[1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-5-(1H-pyrazol-5-yl)pyrazin-2-one?
The canonical SMILES for 1-[[1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-5-(1H-pyrazol-5-yl)pyrazin-2-one is C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cc(-c3ccn[nH]3)ncc2=O)C(C)(C)C1.
What is the InChIKey of 1-[[1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-5-(1H-pyrazol-5-yl)pyrazin-2-one?
The InChIKey is VAUGMTYDXFKMSX-YDONVPIESA-N. The full InChI is InChI=1S/C25H37N5O3/c1-18(13-19-7-5-4-6-8-19)23(32)29-12-10-25(33,24(2,3)16-29)17-30-15-21(26-14-22(30)31)20-9-11-27-28-20/h9,11,14-15,18-19,33H,4-8,10,12-13,16-17H2,1-3H3,(H,27,28)/t18-,25?/m1/s1.
What are the key properties of 1-[[1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-5-(1H-pyrazol-5-yl)pyrazin-2-one?
1-[[1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-5-(1H-pyrazol-5-yl)pyrazin-2-one has a molecular weight of 455.60 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-5-(1H-pyrazol-5-yl)pyrazin-2-one is sourced from PubChem (CID 139375389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).