N-[3-acetamido-2-(4-methoxyphenyl)-6-trimethylsilylphenyl]-2-(3-hydroxypiperidin-1-yl)acetamide

C25H35N3O4Si — CID 140781444

IUPACN-[3-acetamido-2-(4-methoxyphenyl)-6-trimethylsilylphenyl]-2-(3-hydroxypiperidin-1-yl)acetamide
SMILESCOc1ccc(-c2c(NC(C)=O)ccc([Si](C)(C)C)c2NC(=O)CN2CCCC(O)C2)cc1
InChIInChI=1S/C25H35N3O4Si/c1-17(29)26-21-12-13-22(33(3,4)5)25(24(21)18-8-10-20(32-2)11-9-18)27-23(31)16-28-14-6-7-19(30)15-28/h8-13,19,30H,6-7,14-16H2,1-5H3,(H,26,29)(H,27,31)
InChIKeyLIAAWBIJVYCTCM-UHFFFAOYSA-N
MW469.66 g/mol
LogP3.26
Rot. Bonds7

About N-[3-acetamido-2-(4-methoxyphenyl)-6-trimethylsilylphenyl]-2-(3-hydroxypiperidin-1-yl)acetamide

N-[3-acetamido-2-(4-methoxyphenyl)-6-trimethylsilylphenyl]-2-(3-hydroxypiperidin-1-yl)acetamide (PubChem CID 140781444) has the molecular formula C25H35N3O4Si and a molecular weight of 469.66 g/mol. Its IUPAC name is N-[3-acetamido-2-(4-methoxyphenyl)-6-trimethylsilylphenyl]-2-(3-hydroxypiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-acetamido-2-(4-methoxyphenyl)-6-trimethylsilylphenyl]-2-(3-hydroxypiperidin-1-yl)acetamide
PubChem CID140781444
Molecular FormulaC25H35N3O4Si
Molecular Weight469.66 g/mol
Exact Mass469.24
IUPAC NameN-[3-acetamido-2-(4-methoxyphenyl)-6-trimethylsilylphenyl]-2-(3-hydroxypiperidin-1-yl)acetamide
SMILESCOc1ccc(-c2c(NC(C)=O)ccc([Si](C)(C)C)c2NC(=O)CN2CCCC(O)C2)cc1
InChIInChI=1S/C25H35N3O4Si/c1-17(29)26-21-12-13-22(33(3,4)5)25(24(21)18-8-10-20(32-2)11-9-18)27-23(31)16-28-14-6-7-19(30)15-28/h8-13,19,30H,6-7,14-16H2,1-5H3,(H,26,29)(H,27,31)
InChIKeyLIAAWBIJVYCTCM-UHFFFAOYSA-N
XLogP3.26
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.66
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-acetamido-2-(4-methoxyphenyl)-6-trimethylsilylphenyl]-2-(1-cyanocyclopentyl)acetamide
CID 140781210
2-[(3S)-3-hydroxypiperidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 31478295
2-[(3R)-3-aminopiperidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 102977410
N-(2-amino-4-methoxyphenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 62917017
1-[2-(4-methoxyanilino)-2-oxoethyl]piperidine-3-carboxylic acid
CID 43440705
2-[(3R)-3-hydroxypiperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 129367068
2-(4-hydroxypiperidin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 51171901
2-[[2-(3-hydroxypyrrolidin-1-yl)acetyl]amino]-2-(4-methoxyphenyl)-N-(4-trimethylsilylphenyl)acetamide
CID 154406830
2-[(3S)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-N-pyridin-2-ylacetamide
CID 95809886
2-(3,4-dihydroxypyrrolidin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 106671846
ethyl 4-[[2-(3-hydroxypiperidin-1-yl)acetyl]amino]benzoate
CID 18083504
1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]piperidin-3-ol
CID 48631711

Frequently Asked Questions

What is the IUPAC name of N-[3-acetamido-2-(4-methoxyphenyl)-6-trimethylsilylphenyl]-2-(3-hydroxypiperidin-1-yl)acetamide?
The IUPAC name of N-[3-acetamido-2-(4-methoxyphenyl)-6-trimethylsilylphenyl]-2-(3-hydroxypiperidin-1-yl)acetamide (CID 140781444) is N-[3-acetamido-2-(4-methoxyphenyl)-6-trimethylsilylphenyl]-2-(3-hydroxypiperidin-1-yl)acetamide.
What is the SMILES notation for N-[3-acetamido-2-(4-methoxyphenyl)-6-trimethylsilylphenyl]-2-(3-hydroxypiperidin-1-yl)acetamide?
The canonical SMILES for N-[3-acetamido-2-(4-methoxyphenyl)-6-trimethylsilylphenyl]-2-(3-hydroxypiperidin-1-yl)acetamide is COc1ccc(-c2c(NC(C)=O)ccc([Si](C)(C)C)c2NC(=O)CN2CCCC(O)C2)cc1.
What is the InChIKey of N-[3-acetamido-2-(4-methoxyphenyl)-6-trimethylsilylphenyl]-2-(3-hydroxypiperidin-1-yl)acetamide?
The InChIKey is LIAAWBIJVYCTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O4Si/c1-17(29)26-21-12-13-22(33(3,4)5)25(24(21)18-8-10-20(32-2)11-9-18)27-23(31)16-28-14-6-7-19(30)15-28/h8-13,19,30H,6-7,14-16H2,1-5H3,(H,26,29)(H,27,31).
What are the key properties of N-[3-acetamido-2-(4-methoxyphenyl)-6-trimethylsilylphenyl]-2-(3-hydroxypiperidin-1-yl)acetamide?
N-[3-acetamido-2-(4-methoxyphenyl)-6-trimethylsilylphenyl]-2-(3-hydroxypiperidin-1-yl)acetamide has a molecular weight of 469.66 g/mol, XLogP of 3.26, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-acetamido-2-(4-methoxyphenyl)-6-trimethylsilylphenyl]-2-(3-hydroxypiperidin-1-yl)acetamide is sourced from PubChem (CID 140781444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).