1-[5-pyridin-4-yl-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]piperidin-2-one

C18H27N5O2Si — CID 162784324

IUPAC1-[5-pyridin-4-yl-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]piperidin-2-one
SMILESC[Si](C)(C)CCOCn1nc(-c2ccncc2)nc1N1CCCCC1=O
InChIInChI=1S/C18H27N5O2Si/c1-26(2,3)13-12-25-14-23-18(22-11-5-4-6-16(22)24)20-17(21-23)15-7-9-19-10-8-15/h7-10H,4-6,11-14H2,1-3H3
InChIKeyABHKYLVXAXJRON-UHFFFAOYSA-N
MW373.53 g/mol
LogP3.17
Rot. Bonds7

About 1-[5-pyridin-4-yl-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]piperidin-2-one

1-[5-pyridin-4-yl-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]piperidin-2-one (PubChem CID 162784324) has the molecular formula C18H27N5O2Si and a molecular weight of 373.53 g/mol. Its IUPAC name is 1-[5-pyridin-4-yl-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]piperidin-2-one.

Molecular Properties

Compound Name1-[5-pyridin-4-yl-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]piperidin-2-one
PubChem CID162784324
Molecular FormulaC18H27N5O2Si
Molecular Weight373.53 g/mol
Exact Mass373.19
IUPAC Name1-[5-pyridin-4-yl-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]piperidin-2-one
SMILESC[Si](C)(C)CCOCn1nc(-c2ccncc2)nc1N1CCCCC1=O
InChIInChI=1S/C18H27N5O2Si/c1-26(2,3)13-12-25-14-23-18(22-11-5-4-6-16(22)24)20-17(21-23)15-7-9-19-10-8-15/h7-10H,4-6,11-14H2,1-3H3
InChIKeyABHKYLVXAXJRON-UHFFFAOYSA-N
XLogP3.17
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.53
LogP ≤ 53.17
H-Bond Donors ≤ 50
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

3-(2-trimethylsilylethoxymethyl)pyrimidin-4-one
CID 175839640
1-[3-(2-oxopyrrolidin-1-yl)-5-(4-pyridin-4-ylphenyl)phenyl]pyrrolidin-2-one
CID 172517099
trimethyl-[2-[(5-nitro-3-pyridin-4-ylindazol-1-yl)methoxy]ethyl]silane
CID 68672964
(3R)-3-[(3-fluoro-4-isocyanophenyl)methyl]-1-(4-fluoro-5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-2-one;(3S)-3-[(3-fluoro-4-isocyanophenyl)methyl]-1-(4-fluoro-5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-2-one;3-[(3-fluoro-4-isocyanophenyl)methyl]-1-[4-fluoro-3-pyridin-4-yl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]piperidin-2-one
CID 163574210
4-[2-(2-methoxyethoxymethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]-1-oxidopyridin-1-ium
CID 23117294
1-[4-[4-[4-[5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]phenyl]cyclohexyl]propan-2-one
CID 159438084
1-[4-(4-methyl-5-pyridin-4-yl-3-pyridinyl)phenyl]pyrrolidin-2-one
CID 146769068
4-[1-(2-piperidin-1-ylethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]pyridine
CID 71364184
1-(4-methoxyphenyl)azepan-2-one
CID 66742326
4-[5-cyclopropyl-4-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]aniline
CID 169122111
5-(4-fluoro-2-propan-2-yl-6-pyridin-4-ylphenoxy)-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazole-3-sulfinic acid
CID 153356831
N-[[6-(dimethylamino)-2-pyridin-4-ylpyrimidin-4-yl]methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 92607033

Frequently Asked Questions

What is the IUPAC name of 1-[5-pyridin-4-yl-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]piperidin-2-one?
The IUPAC name of 1-[5-pyridin-4-yl-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]piperidin-2-one (CID 162784324) is 1-[5-pyridin-4-yl-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]piperidin-2-one.
What is the SMILES notation for 1-[5-pyridin-4-yl-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]piperidin-2-one?
The canonical SMILES for 1-[5-pyridin-4-yl-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]piperidin-2-one is C[Si](C)(C)CCOCn1nc(-c2ccncc2)nc1N1CCCCC1=O.
What is the InChIKey of 1-[5-pyridin-4-yl-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]piperidin-2-one?
The InChIKey is ABHKYLVXAXJRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2Si/c1-26(2,3)13-12-25-14-23-18(22-11-5-4-6-16(22)24)20-17(21-23)15-7-9-19-10-8-15/h7-10H,4-6,11-14H2,1-3H3.
What are the key properties of 1-[5-pyridin-4-yl-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]piperidin-2-one?
1-[5-pyridin-4-yl-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]piperidin-2-one has a molecular weight of 373.53 g/mol, XLogP of 3.17, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-pyridin-4-yl-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]piperidin-2-one is sourced from PubChem (CID 162784324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).