tert-butyl N-[1-(6-tributylstannylpyrazin-2-yl)piperidin-3-yl]carbamate

C26H48N4O2Sn — CID 67958112

IUPACtert-butyl N-[1-(6-tributylstannylpyrazin-2-yl)piperidin-3-yl]carbamate
SMILESCCCC[Sn](CCCC)(CCCC)c1cncc(N2CCCC(NC(=O)OC(C)(C)C)C2)n1
InChIInChI=1S/C14H21N4O2.3C4H9.Sn/c1-14(2,3)20-13(19)17-11-5-4-8-18(10-11)12-9-15-6-7-16-12;3*1-3-4-2;/h6,9,11H,4-5,8,10H2,1-3H3,(H,17,19);3*1,3-4H2,2H3;
InChIKeyBAPUTPVAFGDJQV-UHFFFAOYSA-N
MW567.41 g/mol
LogP6.03
Rot. Bonds12

About tert-butyl N-[1-(6-tributylstannylpyrazin-2-yl)piperidin-3-yl]carbamate

tert-butyl N-[1-(6-tributylstannylpyrazin-2-yl)piperidin-3-yl]carbamate (PubChem CID 67958112) has the molecular formula C26H48N4O2Sn and a molecular weight of 567.41 g/mol. Its IUPAC name is tert-butyl N-[1-(6-tributylstannylpyrazin-2-yl)piperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(6-tributylstannylpyrazin-2-yl)piperidin-3-yl]carbamate
PubChem CID67958112
Molecular FormulaC26H48N4O2Sn
Molecular Weight567.41 g/mol
Exact Mass568.28
IUPAC Nametert-butyl N-[1-(6-tributylstannylpyrazin-2-yl)piperidin-3-yl]carbamate
SMILESCCCC[Sn](CCCC)(CCCC)c1cncc(N2CCCC(NC(=O)OC(C)(C)C)C2)n1
InChIInChI=1S/C14H21N4O2.3C4H9.Sn/c1-14(2,3)20-13(19)17-11-5-4-8-18(10-11)12-9-15-6-7-16-12;3*1-3-4-2;/h6,9,11H,4-5,8,10H2,1-3H3,(H,17,19);3*1,3-4H2,2H3;
InChIKeyBAPUTPVAFGDJQV-UHFFFAOYSA-N
XLogP6.03
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.41
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(6-tributylstannylpyrazin-2-yl)piperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(6-tributylstannylpyrazin-2-yl)piperidin-3-yl]carbamate (CID 67958112) is tert-butyl N-[1-(6-tributylstannylpyrazin-2-yl)piperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(6-tributylstannylpyrazin-2-yl)piperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(6-tributylstannylpyrazin-2-yl)piperidin-3-yl]carbamate is CCCC[Sn](CCCC)(CCCC)c1cncc(N2CCCC(NC(=O)OC(C)(C)C)C2)n1.
What is the InChIKey of tert-butyl N-[1-(6-tributylstannylpyrazin-2-yl)piperidin-3-yl]carbamate?
The InChIKey is BAPUTPVAFGDJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N4O2.3C4H9.Sn/c1-14(2,3)20-13(19)17-11-5-4-8-18(10-11)12-9-15-6-7-16-12;3*1-3-4-2;/h6,9,11H,4-5,8,10H2,1-3H3,(H,17,19);3*1,3-4H2,2H3;.
What are the key properties of tert-butyl N-[1-(6-tributylstannylpyrazin-2-yl)piperidin-3-yl]carbamate?
tert-butyl N-[1-(6-tributylstannylpyrazin-2-yl)piperidin-3-yl]carbamate has a molecular weight of 567.41 g/mol, XLogP of 6.03, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(6-tributylstannylpyrazin-2-yl)piperidin-3-yl]carbamate is sourced from PubChem (CID 67958112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).