N-[2-(4-methoxypiperidin-1-yl)ethyl]-6-(2-methylpropoxy)pyrazin-2-amine

C16H28N4O2 — CID 71857378

IUPACN-[2-(4-methoxypiperidin-1-yl)ethyl]-6-(2-methylpropoxy)pyrazin-2-amine
SMILESCOC1CCN(CCNc2cncc(OCC(C)C)n2)CC1
InChIInChI=1S/C16H28N4O2/c1-13(2)12-22-16-11-17-10-15(19-16)18-6-9-20-7-4-14(21-3)5-8-20/h10-11,13-14H,4-9,12H2,1-3H3,(H,18,19)
InChIKeyHMJAEELELRZEBC-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.03
Rot. Bonds8

About N-[2-(4-methoxypiperidin-1-yl)ethyl]-6-(2-methylpropoxy)pyrazin-2-amine

N-[2-(4-methoxypiperidin-1-yl)ethyl]-6-(2-methylpropoxy)pyrazin-2-amine (PubChem CID 71857378) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is N-[2-(4-methoxypiperidin-1-yl)ethyl]-6-(2-methylpropoxy)pyrazin-2-amine.

Molecular Properties

Compound NameN-[2-(4-methoxypiperidin-1-yl)ethyl]-6-(2-methylpropoxy)pyrazin-2-amine
PubChem CID71857378
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC NameN-[2-(4-methoxypiperidin-1-yl)ethyl]-6-(2-methylpropoxy)pyrazin-2-amine
SMILESCOC1CCN(CCNc2cncc(OCC(C)C)n2)CC1
InChIInChI=1S/C16H28N4O2/c1-13(2)12-22-16-11-17-10-15(19-16)18-6-9-20-7-4-14(21-3)5-8-20/h10-11,13-14H,4-9,12H2,1-3H3,(H,18,19)
InChIKeyHMJAEELELRZEBC-UHFFFAOYSA-N
XLogP2.03
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(4-methoxypiperidin-1-yl)ethyl]-6-(2-methylpropoxy)pyrazin-2-amine 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 N-[2-(4-methoxypiperidin-1-yl)ethyl]-6-(2-methylpropoxy)pyrazin-2-amine?
The IUPAC name of N-[2-(4-methoxypiperidin-1-yl)ethyl]-6-(2-methylpropoxy)pyrazin-2-amine (CID 71857378) is N-[2-(4-methoxypiperidin-1-yl)ethyl]-6-(2-methylpropoxy)pyrazin-2-amine.
What is the SMILES notation for N-[2-(4-methoxypiperidin-1-yl)ethyl]-6-(2-methylpropoxy)pyrazin-2-amine?
The canonical SMILES for N-[2-(4-methoxypiperidin-1-yl)ethyl]-6-(2-methylpropoxy)pyrazin-2-amine is COC1CCN(CCNc2cncc(OCC(C)C)n2)CC1.
What is the InChIKey of N-[2-(4-methoxypiperidin-1-yl)ethyl]-6-(2-methylpropoxy)pyrazin-2-amine?
The InChIKey is HMJAEELELRZEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-13(2)12-22-16-11-17-10-15(19-16)18-6-9-20-7-4-14(21-3)5-8-20/h10-11,13-14H,4-9,12H2,1-3H3,(H,18,19).
What are the key properties of N-[2-(4-methoxypiperidin-1-yl)ethyl]-6-(2-methylpropoxy)pyrazin-2-amine?
N-[2-(4-methoxypiperidin-1-yl)ethyl]-6-(2-methylpropoxy)pyrazin-2-amine has a molecular weight of 308.43 g/mol, XLogP of 2.03, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxypiperidin-1-yl)ethyl]-6-(2-methylpropoxy)pyrazin-2-amine is sourced from PubChem (CID 71857378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).