1-[[1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-5-pyridin-4-ylpyrazin-2-one

C27H38N4O3 — CID 139375514

IUPAC1-[[1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-5-pyridin-4-ylpyrazin-2-one
SMILESC[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cc(-c3ccncc3)ncc2=O)C(C)(C)C1
InChIInChI=1S/C27H38N4O3/c1-20(15-21-7-5-4-6-8-21)25(33)30-14-11-27(34,26(2,3)18-30)19-31-17-23(29-16-24(31)32)22-9-12-28-13-10-22/h9-10,12-13,16-17,20-21,34H,4-8,11,14-15,18-19H2,1-3H3/t20-,27?/m1/s1
InChIKeyXXUIUVZONKBVMH-ACVCQEAVSA-N
MW466.63 g/mol
LogP3.90
Rot. Bonds6

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

1-[[1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-5-pyridin-4-ylpyrazin-2-one (PubChem CID 139375514) has the molecular formula C27H38N4O3 and a molecular weight of 466.63 g/mol. Its IUPAC name is 1-[[1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-5-pyridin-4-ylpyrazin-2-one.

Molecular Properties

Compound Name1-[[1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-5-pyridin-4-ylpyrazin-2-one
PubChem CID139375514
Molecular FormulaC27H38N4O3
Molecular Weight466.63 g/mol
Exact Mass466.29
IUPAC Name1-[[1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-5-pyridin-4-ylpyrazin-2-one
SMILESC[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cc(-c3ccncc3)ncc2=O)C(C)(C)C1
InChIInChI=1S/C27H38N4O3/c1-20(15-21-7-5-4-6-8-21)25(33)30-14-11-27(34,26(2,3)18-30)19-31-17-23(29-16-24(31)32)22-9-12-28-13-10-22/h9-10,12-13,16-17,20-21,34H,4-8,11,14-15,18-19H2,1-3H3/t20-,27?/m1/s1
InChIKeyXXUIUVZONKBVMH-ACVCQEAVSA-N
XLogP3.90
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.63
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

Ro 23-7637
CID 129491
3,3-dimethyl-1-[(2S)-2-[6-(pyridin-3-yl)hexanoyl]piperidin-1-yl]pentane-1,2-dione
CID 11069110
N-Octylpyridoglutethimide
CID 147045
((3S,4S)-3-((4-(allyl(pyridin-4-yl)amino)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)(cyclohexyl)methanone
CID 505874
Adamantan-1-yl-(4'-hydroxy-3',4',5',6'-tetrahydro-2'H-[3,4']bipyridinyl-1'-yl)-methanone
CID 644435
2,2-Diphenyl-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 1131733
2,2-Diphenyl-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone
CID 1360932
3,3-Diphenyl-1-(4-pyridin-3-ylmethyl-piperazin-1-yl)-propan-1-one; hydrate
CID 10045642
[9-(4-Pyridin-4-yl-piperazine-1-carbonyl)-3-aza-spiro[5.5]undec-3-yl]-acetic acid
CID 10318813
(3R)-3-ethyl-1-octyl-3-pyridin-4-ylpiperidine-2,6-dione
CID 44323768
2-(4,4-dimethylcyclohexyl)-2-phenyl-N-[1-(3-pyridin-3-ylpropanoyl)piperidin-4-yl]acetamide
CID 44430526
2,2-dicyclohexyl-N-[1-(3-pyridin-3-ylpropanoyl)piperidin-4-yl]acetamide
CID 44430552

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-pyridin-4-ylpyrazin-2-one?
The IUPAC name of 1-[[1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-5-pyridin-4-ylpyrazin-2-one (CID 139375514) is 1-[[1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-5-pyridin-4-ylpyrazin-2-one.
What is the SMILES notation for 1-[[1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-5-pyridin-4-ylpyrazin-2-one?
The canonical SMILES for 1-[[1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-5-pyridin-4-ylpyrazin-2-one is C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cc(-c3ccncc3)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-pyridin-4-ylpyrazin-2-one?
The InChIKey is XXUIUVZONKBVMH-ACVCQEAVSA-N. The full InChI is InChI=1S/C27H38N4O3/c1-20(15-21-7-5-4-6-8-21)25(33)30-14-11-27(34,26(2,3)18-30)19-31-17-23(29-16-24(31)32)22-9-12-28-13-10-22/h9-10,12-13,16-17,20-21,34H,4-8,11,14-15,18-19H2,1-3H3/t20-,27?/m1/s1.
What are the key properties of 1-[[1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-5-pyridin-4-ylpyrazin-2-one?
1-[[1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-5-pyridin-4-ylpyrazin-2-one has a molecular weight of 466.63 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 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-pyridin-4-ylpyrazin-2-one is sourced from PubChem (CID 139375514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).