tert-butyl N-[1-(6-bromo-4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]carbamate

C15H23BrN4O3 — CID 123822500

IUPACtert-butyl N-[1-(6-bromo-4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]carbamate
SMILESCn1cc(Br)nc(N2CCCC(NC(=O)OC(C)(C)C)C2)c1=O
InChIInChI=1S/C15H23BrN4O3/c1-15(2,3)23-14(22)17-10-6-5-7-20(8-10)12-13(21)19(4)9-11(16)18-12/h9-10H,5-8H2,1-4H3,(H,17,22)
InChIKeyNLAZALSVSUELDQ-UHFFFAOYSA-N
MW387.28 g/mol
LogP2.04
Rot. Bonds2

About tert-butyl N-[1-(6-bromo-4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]carbamate

tert-butyl N-[1-(6-bromo-4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]carbamate (PubChem CID 123822500) has the molecular formula C15H23BrN4O3 and a molecular weight of 387.28 g/mol. Its IUPAC name is tert-butyl N-[1-(6-bromo-4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(6-bromo-4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]carbamate
PubChem CID123822500
Molecular FormulaC15H23BrN4O3
Molecular Weight387.28 g/mol
Exact Mass386.10
IUPAC Nametert-butyl N-[1-(6-bromo-4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]carbamate
SMILESCn1cc(Br)nc(N2CCCC(NC(=O)OC(C)(C)C)C2)c1=O
InChIInChI=1S/C15H23BrN4O3/c1-15(2,3)23-14(22)17-10-6-5-7-20(8-10)12-13(21)19(4)9-11(16)18-12/h9-10H,5-8H2,1-4H3,(H,17,22)
InChIKeyNLAZALSVSUELDQ-UHFFFAOYSA-N
XLogP2.04
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.28
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(6-bromo-4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(6-bromo-4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]carbamate (CID 123822500) is tert-butyl N-[1-(6-bromo-4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(6-bromo-4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(6-bromo-4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]carbamate is Cn1cc(Br)nc(N2CCCC(NC(=O)OC(C)(C)C)C2)c1=O.
What is the InChIKey of tert-butyl N-[1-(6-bromo-4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]carbamate?
The InChIKey is NLAZALSVSUELDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN4O3/c1-15(2,3)23-14(22)17-10-6-5-7-20(8-10)12-13(21)19(4)9-11(16)18-12/h9-10H,5-8H2,1-4H3,(H,17,22).
What are the key properties of tert-butyl N-[1-(6-bromo-4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]carbamate?
tert-butyl N-[1-(6-bromo-4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]carbamate has a molecular weight of 387.28 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(6-bromo-4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]carbamate is sourced from PubChem (CID 123822500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).