tert-butyl 4-(5-methoxycarbonyl-3-trimethylsilyl-2-pyridinyl)piperazine-1-carboxylate

C19H31N3O4Si — CID 70861209

IUPACtert-butyl 4-(5-methoxycarbonyl-3-trimethylsilyl-2-pyridinyl)piperazine-1-carboxylate
SMILESCOC(=O)c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c([Si](C)(C)C)c1
InChIInChI=1S/C19H31N3O4Si/c1-19(2,3)26-18(24)22-10-8-21(9-11-22)16-15(27(5,6)7)12-14(13-20-16)17(23)25-4/h12-13H,8-11H2,1-7H3
InChIKeyATLSZHKQBQDIMO-UHFFFAOYSA-N
MW393.56 g/mol
LogP2.47
Rot. Bonds3

About tert-butyl 4-(5-methoxycarbonyl-3-trimethylsilyl-2-pyridinyl)piperazine-1-carboxylate

tert-butyl 4-(5-methoxycarbonyl-3-trimethylsilyl-2-pyridinyl)piperazine-1-carboxylate (PubChem CID 70861209) has the molecular formula C19H31N3O4Si and a molecular weight of 393.56 g/mol. Its IUPAC name is tert-butyl 4-(5-methoxycarbonyl-3-trimethylsilyl-2-pyridinyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(5-methoxycarbonyl-3-trimethylsilyl-2-pyridinyl)piperazine-1-carboxylate
PubChem CID70861209
Molecular FormulaC19H31N3O4Si
Molecular Weight393.56 g/mol
Exact Mass393.21
IUPAC Nametert-butyl 4-(5-methoxycarbonyl-3-trimethylsilyl-2-pyridinyl)piperazine-1-carboxylate
SMILESCOC(=O)c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c([Si](C)(C)C)c1
InChIInChI=1S/C19H31N3O4Si/c1-19(2,3)26-18(24)22-10-8-21(9-11-22)16-15(27(5,6)7)12-14(13-20-16)17(23)25-4/h12-13H,8-11H2,1-7H3
InChIKeyATLSZHKQBQDIMO-UHFFFAOYSA-N
XLogP2.47
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.56
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4-(3-chloro-5-methoxycarbonyl-2-pyridinyl)piperazine-1-carboxylate
CID 67401100
tert-butyl 4-(5-methoxycarbonyl-3-phenyl-2-pyridinyl)piperazine-1-carboxylate
CID 59427561
tert-butyl 4-[3-cyano-5-(5-methoxycarbonyl-2-methylphenyl)-2-pyridinyl]piperazine-1-carboxylate
CID 118946246
6-O-tert-butyl 3-O-methyl 5,7-dihydropyrrolo[3,4-b]pyridine-3,6-dicarboxylate
CID 71433196
tert-butyl 4-(5-bromo-3-methyl-2-pyridinyl)piperazine-1-carboxylate
CID 46739269
tert-butyl 4-(4-methoxycarbonyl-2-methylphenyl)piperazine-1-carboxylate
CID 67048475
7-O-tert-butyl 3-O-methyl 6,8-dihydro-5H-1,7-naphthyridine-3,7-dicarboxylate
CID 53446461
tert-butyl 4-(6-chloro-4-methoxycarbonyl-2-pyridinyl)piperazine-1-carboxylate
CID 58229586
tert-butyl 4-(2-fluoro-5-methoxycarbonylphenyl)piperazine-1-carboxylate
CID 164879195
tert-butyl 4-(5-bromo-3-cyano-2-pyridinyl)piperazine-1-carboxylate
CID 66524905
tert-butyl 4-(5-methoxypyrimidin-4-yl)piperazine-1-carboxylate
CID 156898070
tert-butyl 4-[(4-methoxycarbonylphenyl)carbamoyl]piperazine-1-carboxylate
CID 47039906

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(5-methoxycarbonyl-3-trimethylsilyl-2-pyridinyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(5-methoxycarbonyl-3-trimethylsilyl-2-pyridinyl)piperazine-1-carboxylate (CID 70861209) is tert-butyl 4-(5-methoxycarbonyl-3-trimethylsilyl-2-pyridinyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(5-methoxycarbonyl-3-trimethylsilyl-2-pyridinyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(5-methoxycarbonyl-3-trimethylsilyl-2-pyridinyl)piperazine-1-carboxylate is COC(=O)c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c([Si](C)(C)C)c1.
What is the InChIKey of tert-butyl 4-(5-methoxycarbonyl-3-trimethylsilyl-2-pyridinyl)piperazine-1-carboxylate?
The InChIKey is ATLSZHKQBQDIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O4Si/c1-19(2,3)26-18(24)22-10-8-21(9-11-22)16-15(27(5,6)7)12-14(13-20-16)17(23)25-4/h12-13H,8-11H2,1-7H3.
What are the key properties of tert-butyl 4-(5-methoxycarbonyl-3-trimethylsilyl-2-pyridinyl)piperazine-1-carboxylate?
tert-butyl 4-(5-methoxycarbonyl-3-trimethylsilyl-2-pyridinyl)piperazine-1-carboxylate has a molecular weight of 393.56 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(5-methoxycarbonyl-3-trimethylsilyl-2-pyridinyl)piperazine-1-carboxylate is sourced from PubChem (CID 70861209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).