tert-butyl (3R)-3-[(6-trimethylstannylpyrazin-2-yl)amino]piperidine-1-carboxylate

C17H30N4O2Sn — CID 58303314

IUPACtert-butyl (3R)-3-[(6-trimethylstannylpyrazin-2-yl)amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](Nc2cncc([Sn](C)(C)C)n2)C1
InChIInChI=1S/C14H21N4O2.3CH3.Sn/c1-14(2,3)20-13(19)18-8-4-5-11(10-18)17-12-9-15-6-7-16-12;;;;/h6,9,11H,4-5,8,10H2,1-3H3,(H,16,17);3*1H3;/t11-;;;;/m1..../s1
InChIKeyUWAGTGHOSGESFE-LOSFGHDGSA-N
MW441.16 g/mol
LogP2.83
Rot. Bonds3

About tert-butyl (3R)-3-[(6-trimethylstannylpyrazin-2-yl)amino]piperidine-1-carboxylate

tert-butyl (3R)-3-[(6-trimethylstannylpyrazin-2-yl)amino]piperidine-1-carboxylate (PubChem CID 58303314) has the molecular formula C17H30N4O2Sn and a molecular weight of 441.16 g/mol. Its IUPAC name is tert-butyl (3R)-3-[(6-trimethylstannylpyrazin-2-yl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[(6-trimethylstannylpyrazin-2-yl)amino]piperidine-1-carboxylate
PubChem CID58303314
Molecular FormulaC17H30N4O2Sn
Molecular Weight441.16 g/mol
Exact Mass442.14
IUPAC Nametert-butyl (3R)-3-[(6-trimethylstannylpyrazin-2-yl)amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](Nc2cncc([Sn](C)(C)C)n2)C1
InChIInChI=1S/C14H21N4O2.3CH3.Sn/c1-14(2,3)20-13(19)18-8-4-5-11(10-18)17-12-9-15-6-7-16-12;;;;/h6,9,11H,4-5,8,10H2,1-3H3,(H,16,17);3*1H3;/t11-;;;;/m1..../s1
InChIKeyUWAGTGHOSGESFE-LOSFGHDGSA-N
XLogP2.83
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.16
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[(6-trimethylstannylpyrazin-2-yl)amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-[(6-trimethylstannylpyrazin-2-yl)amino]piperidine-1-carboxylate (CID 58303314) is tert-butyl (3R)-3-[(6-trimethylstannylpyrazin-2-yl)amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-[(6-trimethylstannylpyrazin-2-yl)amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-[(6-trimethylstannylpyrazin-2-yl)amino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@@H](Nc2cncc([Sn](C)(C)C)n2)C1.
What is the InChIKey of tert-butyl (3R)-3-[(6-trimethylstannylpyrazin-2-yl)amino]piperidine-1-carboxylate?
The InChIKey is UWAGTGHOSGESFE-LOSFGHDGSA-N. The full InChI is InChI=1S/C14H21N4O2.3CH3.Sn/c1-14(2,3)20-13(19)18-8-4-5-11(10-18)17-12-9-15-6-7-16-12;;;;/h6,9,11H,4-5,8,10H2,1-3H3,(H,16,17);3*1H3;/t11-;;;;/m1..../s1.
What are the key properties of tert-butyl (3R)-3-[(6-trimethylstannylpyrazin-2-yl)amino]piperidine-1-carboxylate?
tert-butyl (3R)-3-[(6-trimethylstannylpyrazin-2-yl)amino]piperidine-1-carboxylate has a molecular weight of 441.16 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-[(6-trimethylstannylpyrazin-2-yl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 58303314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).