dimethyl (2S,3S,4S)-1-acetyl-4-trimethylsilylpiperidine-2,3-dicarboxylate

C14H25NO5Si — CID 101092452

IUPACdimethyl (2S,3S,4S)-1-acetyl-4-trimethylsilylpiperidine-2,3-dicarboxylate
SMILESCOC(=O)[C@@H]1[C@@H](C(=O)OC)N(C(C)=O)CC[C@@H]1[Si](C)(C)C
InChIInChI=1S/C14H25NO5Si/c1-9(16)15-8-7-10(21(4,5)6)11(13(17)19-2)12(15)14(18)20-3/h10-12H,7-8H2,1-6H3/t10-,11-,12-/m0/s1
InChIKeyNFLVYXYAFAUDQV-SRVKXCTJSA-N
MW315.44 g/mol
LogP1.28
Rot. Bonds3

About dimethyl (2S,3S,4S)-1-acetyl-4-trimethylsilylpiperidine-2,3-dicarboxylate

dimethyl (2S,3S,4S)-1-acetyl-4-trimethylsilylpiperidine-2,3-dicarboxylate (PubChem CID 101092452) has the molecular formula C14H25NO5Si and a molecular weight of 315.44 g/mol. Its IUPAC name is dimethyl (2S,3S,4S)-1-acetyl-4-trimethylsilylpiperidine-2,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl (2S,3S,4S)-1-acetyl-4-trimethylsilylpiperidine-2,3-dicarboxylate
PubChem CID101092452
Molecular FormulaC14H25NO5Si
Molecular Weight315.44 g/mol
Exact Mass315.15
IUPAC Namedimethyl (2S,3S,4S)-1-acetyl-4-trimethylsilylpiperidine-2,3-dicarboxylate
SMILESCOC(=O)[C@@H]1[C@@H](C(=O)OC)N(C(C)=O)CC[C@@H]1[Si](C)(C)C
InChIInChI=1S/C14H25NO5Si/c1-9(16)15-8-7-10(21(4,5)6)11(13(17)19-2)12(15)14(18)20-3/h10-12H,7-8H2,1-6H3/t10-,11-,12-/m0/s1
InChIKeyNFLVYXYAFAUDQV-SRVKXCTJSA-N
XLogP1.28
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl (2R,3R)-1-acetyl-3-fluoropyrrolidine-2-carboxylate
CID 102153577
methyl (2R,3S)-1-acetyl-3-fluoropyrrolidine-2-carboxylate
CID 102153578
(2S)-1-acetyl-2-methoxycarbonylpiperidine-3-carboxylic acid
CID 58298372
methyl 1-acetyl-3-[(2-methylsulfanylacetyl)amino]pyrrolidine-2-carboxylate
CID 3277506
methyl 1-acetyl-3-(cyclohexylcarbamoylamino)pyrrolidine-2-carboxylate
CID 73148466
dimethyl (2S,3S,4S)-1-acetyl-4-trimethylsilyl-3,4-dihydro-2H-pyridine-2,3-dicarboxylate
CID 11232244
dimethyl (2S,3R,4S)-1-acetyl-4-trimethylsilyl-3,4-dihydro-2H-pyridine-2,3-dicarboxylate
CID 101092251
1-[2-(methoxymethyl)azetidin-1-yl]ethanone
CID 176625607
tert-butyl (2S,3S)-1-acetyl-2-(hydrazinecarbonyl)pyrrolidine-3-carboxylate
CID 121340227
methyl (2R)-1-acetyl-3-sulfanylidenepyrrolidine-2-carboxylate
CID 18713607
dimethyl (1S,2S,3R,4S)-bicyclo[2.2.0]hexane-2,3-dicarboxylate
CID 94034772
methyl 1-acetyl-3-oxopiperidine-2-carboxylate
CID 82397953

Frequently Asked Questions

What is the IUPAC name of dimethyl (2S,3S,4S)-1-acetyl-4-trimethylsilylpiperidine-2,3-dicarboxylate?
The IUPAC name of dimethyl (2S,3S,4S)-1-acetyl-4-trimethylsilylpiperidine-2,3-dicarboxylate (CID 101092452) is dimethyl (2S,3S,4S)-1-acetyl-4-trimethylsilylpiperidine-2,3-dicarboxylate.
What is the SMILES notation for dimethyl (2S,3S,4S)-1-acetyl-4-trimethylsilylpiperidine-2,3-dicarboxylate?
The canonical SMILES for dimethyl (2S,3S,4S)-1-acetyl-4-trimethylsilylpiperidine-2,3-dicarboxylate is COC(=O)[C@@H]1[C@@H](C(=O)OC)N(C(C)=O)CC[C@@H]1[Si](C)(C)C.
What is the InChIKey of dimethyl (2S,3S,4S)-1-acetyl-4-trimethylsilylpiperidine-2,3-dicarboxylate?
The InChIKey is NFLVYXYAFAUDQV-SRVKXCTJSA-N. The full InChI is InChI=1S/C14H25NO5Si/c1-9(16)15-8-7-10(21(4,5)6)11(13(17)19-2)12(15)14(18)20-3/h10-12H,7-8H2,1-6H3/t10-,11-,12-/m0/s1.
What are the key properties of dimethyl (2S,3S,4S)-1-acetyl-4-trimethylsilylpiperidine-2,3-dicarboxylate?
dimethyl (2S,3S,4S)-1-acetyl-4-trimethylsilylpiperidine-2,3-dicarboxylate has a molecular weight of 315.44 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2S,3S,4S)-1-acetyl-4-trimethylsilylpiperidine-2,3-dicarboxylate is sourced from PubChem (CID 101092452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).