methyl 3-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]propanoate

C14H22N4O2 — CID 115538512

IUPACmethyl 3-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]propanoate
SMILESCOC(=O)CCN1CCN(c2nc(C)cnc2C)CC1
InChIInChI=1S/C14H22N4O2/c1-11-10-15-12(2)14(16-11)18-8-6-17(7-9-18)5-4-13(19)20-3/h10H,4-9H2,1-3H3
InChIKeyHXODZGNOSOVXQM-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.78
Rot. Bonds4

About methyl 3-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]propanoate

methyl 3-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]propanoate (PubChem CID 115538512) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is methyl 3-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]propanoate
PubChem CID115538512
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Namemethyl 3-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]propanoate
SMILESCOC(=O)CCN1CCN(c2nc(C)cnc2C)CC1
InChIInChI=1S/C14H22N4O2/c1-11-10-15-12(2)14(16-11)18-8-6-17(7-9-18)5-4-13(19)20-3/h10H,4-9H2,1-3H3
InChIKeyHXODZGNOSOVXQM-UHFFFAOYSA-N
XLogP0.78
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 3-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]propanoate 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 methyl 3-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]propanoate?
The IUPAC name of methyl 3-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]propanoate (CID 115538512) is methyl 3-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]propanoate.
What is the SMILES notation for methyl 3-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]propanoate?
The canonical SMILES for methyl 3-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]propanoate is COC(=O)CCN1CCN(c2nc(C)cnc2C)CC1.
What is the InChIKey of methyl 3-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]propanoate?
The InChIKey is HXODZGNOSOVXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-11-10-15-12(2)14(16-11)18-8-6-17(7-9-18)5-4-13(19)20-3/h10H,4-9H2,1-3H3.
What are the key properties of methyl 3-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]propanoate?
methyl 3-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]propanoate has a molecular weight of 278.36 g/mol, XLogP of 0.78, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]propanoate is sourced from PubChem (CID 115538512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).