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

C17H28N4O2 — CID 133470232

IUPACtert-butyl N-methyl-N-[[1-(6-methylpyrazin-2-yl)piperidin-4-yl]methyl]carbamate
SMILESCc1cncc(N2CCC(CN(C)C(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C17H28N4O2/c1-13-10-18-11-15(19-13)21-8-6-14(7-9-21)12-20(5)16(22)23-17(2,3)4/h10-11,14H,6-9,12H2,1-5H3
InChIKeyZETNESSJEUBQCU-UHFFFAOYSA-N
MW320.44 g/mol
LogP2.87
Rot. Bonds3

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

tert-butyl N-methyl-N-[[1-(6-methylpyrazin-2-yl)piperidin-4-yl]methyl]carbamate (PubChem CID 133470232) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[[1-(6-methylpyrazin-2-yl)piperidin-4-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[[1-(6-methylpyrazin-2-yl)piperidin-4-yl]methyl]carbamate
PubChem CID133470232
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Nametert-butyl N-methyl-N-[[1-(6-methylpyrazin-2-yl)piperidin-4-yl]methyl]carbamate
SMILESCc1cncc(N2CCC(CN(C)C(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C17H28N4O2/c1-13-10-18-11-15(19-13)21-8-6-14(7-9-21)12-20(5)16(22)23-17(2,3)4/h10-11,14H,6-9,12H2,1-5H3
InChIKeyZETNESSJEUBQCU-UHFFFAOYSA-N
XLogP2.87
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-methyl-N-[[1-(6-methylpyrazin-2-yl)piperidin-4-yl]methyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[[1-(6-methylpyrazin-2-yl)piperidin-4-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[[1-(6-methylpyrazin-2-yl)piperidin-4-yl]methyl]carbamate (CID 133470232) is tert-butyl N-methyl-N-[[1-(6-methylpyrazin-2-yl)piperidin-4-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[[1-(6-methylpyrazin-2-yl)piperidin-4-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[[1-(6-methylpyrazin-2-yl)piperidin-4-yl]methyl]carbamate is Cc1cncc(N2CCC(CN(C)C(=O)OC(C)(C)C)CC2)n1.
What is the InChIKey of tert-butyl N-methyl-N-[[1-(6-methylpyrazin-2-yl)piperidin-4-yl]methyl]carbamate?
The InChIKey is ZETNESSJEUBQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-13-10-18-11-15(19-13)21-8-6-14(7-9-21)12-20(5)16(22)23-17(2,3)4/h10-11,14H,6-9,12H2,1-5H3.
What are the key properties of tert-butyl N-methyl-N-[[1-(6-methylpyrazin-2-yl)piperidin-4-yl]methyl]carbamate?
tert-butyl N-methyl-N-[[1-(6-methylpyrazin-2-yl)piperidin-4-yl]methyl]carbamate has a molecular weight of 320.44 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[[1-(6-methylpyrazin-2-yl)piperidin-4-yl]methyl]carbamate is sourced from PubChem (CID 133470232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).