5-(3-hydroxypropyl)-3-piperidin-1-yl-1-(2-trimethylsilylethoxymethyl)pyrazin-2-one

C18H33N3O3Si — CID 156676897

IUPAC5-(3-hydroxypropyl)-3-piperidin-1-yl-1-(2-trimethylsilylethoxymethyl)pyrazin-2-one
SMILESC[Si](C)(C)CCOCn1cc(CCCO)nc(N2CCCCC2)c1=O
InChIInChI=1S/C18H33N3O3Si/c1-25(2,3)13-12-24-15-21-14-16(8-7-11-22)19-17(18(21)23)20-9-5-4-6-10-20/h14,22H,4-13,15H2,1-3H3
InChIKeyIFFITDOSGXIZQT-UHFFFAOYSA-N
MW367.57 g/mol
LogP2.47
Rot. Bonds9

About 5-(3-hydroxypropyl)-3-piperidin-1-yl-1-(2-trimethylsilylethoxymethyl)pyrazin-2-one

5-(3-hydroxypropyl)-3-piperidin-1-yl-1-(2-trimethylsilylethoxymethyl)pyrazin-2-one (PubChem CID 156676897) has the molecular formula C18H33N3O3Si and a molecular weight of 367.57 g/mol. Its IUPAC name is 5-(3-hydroxypropyl)-3-piperidin-1-yl-1-(2-trimethylsilylethoxymethyl)pyrazin-2-one.

Molecular Properties

Compound Name5-(3-hydroxypropyl)-3-piperidin-1-yl-1-(2-trimethylsilylethoxymethyl)pyrazin-2-one
PubChem CID156676897
Molecular FormulaC18H33N3O3Si
Molecular Weight367.57 g/mol
Exact Mass367.23
IUPAC Name5-(3-hydroxypropyl)-3-piperidin-1-yl-1-(2-trimethylsilylethoxymethyl)pyrazin-2-one
SMILESC[Si](C)(C)CCOCn1cc(CCCO)nc(N2CCCCC2)c1=O
InChIInChI=1S/C18H33N3O3Si/c1-25(2,3)13-12-24-15-21-14-16(8-7-11-22)19-17(18(21)23)20-9-5-4-6-10-20/h14,22H,4-13,15H2,1-3H3
InChIKeyIFFITDOSGXIZQT-UHFFFAOYSA-N
XLogP2.47
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.57
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1-[(4-fluorophenyl)methyl]-5-(3-hydroxypropyl)-3-(4-methylpiperazin-1-yl)pyrazin-2-one
CID 146243082
5-[3-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]amino]propyl]-3-(4-methylpiperazin-1-yl)-1H-pyrazin-2-one;5-[3-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]amino]propyl]-3-(4-methylpiperazin-1-yl)-1-(2-trimethylsilylethoxymethyl)pyrazin-2-one;hydrochloride
CID 159366601
4-methyl-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid
CID 142729257
1-(2-trimethylsilylethoxymethyl)imidazole-2,4-dicarboxylic acid
CID 159721123
5-(2-hydroxyethyl)-2-(2-trimethylsilylethoxymethyl)isoquinolin-1-one
CID 167442852
[2-(1,2-oxazol-3-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methanol
CID 86718427
4,6-dibromo-2-(2-trimethylsilylethoxymethyl)isoquinolin-1-one
CID 140829624
3-[[2,5-dichloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]propan-1-ol
CID 166600427
4-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide
CID 140827014
potassium 4-isocyano-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylate
CID 160723156
trimethyl-[2-[[4-methyl-2-[2-(1-methyl-2-piperazin-1-ylimidazol-4-yl)ethoxy]imidazol-1-yl]methoxy]ethyl]silane
CID 175266712
4-bromo-5-deuterio-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid
CID 89459246

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxypropyl)-3-piperidin-1-yl-1-(2-trimethylsilylethoxymethyl)pyrazin-2-one?
The IUPAC name of 5-(3-hydroxypropyl)-3-piperidin-1-yl-1-(2-trimethylsilylethoxymethyl)pyrazin-2-one (CID 156676897) is 5-(3-hydroxypropyl)-3-piperidin-1-yl-1-(2-trimethylsilylethoxymethyl)pyrazin-2-one.
What is the SMILES notation for 5-(3-hydroxypropyl)-3-piperidin-1-yl-1-(2-trimethylsilylethoxymethyl)pyrazin-2-one?
The canonical SMILES for 5-(3-hydroxypropyl)-3-piperidin-1-yl-1-(2-trimethylsilylethoxymethyl)pyrazin-2-one is C[Si](C)(C)CCOCn1cc(CCCO)nc(N2CCCCC2)c1=O.
What is the InChIKey of 5-(3-hydroxypropyl)-3-piperidin-1-yl-1-(2-trimethylsilylethoxymethyl)pyrazin-2-one?
The InChIKey is IFFITDOSGXIZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O3Si/c1-25(2,3)13-12-24-15-21-14-16(8-7-11-22)19-17(18(21)23)20-9-5-4-6-10-20/h14,22H,4-13,15H2,1-3H3.
What are the key properties of 5-(3-hydroxypropyl)-3-piperidin-1-yl-1-(2-trimethylsilylethoxymethyl)pyrazin-2-one?
5-(3-hydroxypropyl)-3-piperidin-1-yl-1-(2-trimethylsilylethoxymethyl)pyrazin-2-one has a molecular weight of 367.57 g/mol, XLogP of 2.47, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxypropyl)-3-piperidin-1-yl-1-(2-trimethylsilylethoxymethyl)pyrazin-2-one is sourced from PubChem (CID 156676897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).