methyl 3-(4-ethyl-3-methylpiperazin-1-yl)prop-2-enoate

C11H20N2O2 — CID 79896612

IUPACmethyl 3-(4-ethyl-3-methylpiperazin-1-yl)prop-2-enoate
SMILESCCN1CCN(C=CC(=O)OC)CC1C
InChIInChI=1S/C11H20N2O2/c1-4-13-8-7-12(9-10(13)2)6-5-11(14)15-3/h5-6,10H,4,7-9H2,1-3H3
InChIKeyUFEPVMFDFFOUFS-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.70
Rot. Bonds3

About methyl 3-(4-ethyl-3-methylpiperazin-1-yl)prop-2-enoate

methyl 3-(4-ethyl-3-methylpiperazin-1-yl)prop-2-enoate (PubChem CID 79896612) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is methyl 3-(4-ethyl-3-methylpiperazin-1-yl)prop-2-enoate.

Molecular Properties

Compound Namemethyl 3-(4-ethyl-3-methylpiperazin-1-yl)prop-2-enoate
PubChem CID79896612
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Namemethyl 3-(4-ethyl-3-methylpiperazin-1-yl)prop-2-enoate
SMILESCCN1CCN(C=CC(=O)OC)CC1C
InChIInChI=1S/C11H20N2O2/c1-4-13-8-7-12(9-10(13)2)6-5-11(14)15-3/h5-6,10H,4,7-9H2,1-3H3
InChIKeyUFEPVMFDFFOUFS-UHFFFAOYSA-N
XLogP0.70
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-ethyl-3-methylpiperazin-1-yl)prop-2-enoate?
The IUPAC name of methyl 3-(4-ethyl-3-methylpiperazin-1-yl)prop-2-enoate (CID 79896612) is methyl 3-(4-ethyl-3-methylpiperazin-1-yl)prop-2-enoate.
What is the SMILES notation for methyl 3-(4-ethyl-3-methylpiperazin-1-yl)prop-2-enoate?
The canonical SMILES for methyl 3-(4-ethyl-3-methylpiperazin-1-yl)prop-2-enoate is CCN1CCN(C=CC(=O)OC)CC1C.
What is the InChIKey of methyl 3-(4-ethyl-3-methylpiperazin-1-yl)prop-2-enoate?
The InChIKey is UFEPVMFDFFOUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-4-13-8-7-12(9-10(13)2)6-5-11(14)15-3/h5-6,10H,4,7-9H2,1-3H3.
What are the key properties of methyl 3-(4-ethyl-3-methylpiperazin-1-yl)prop-2-enoate?
methyl 3-(4-ethyl-3-methylpiperazin-1-yl)prop-2-enoate has a molecular weight of 212.29 g/mol, XLogP of 0.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-ethyl-3-methylpiperazin-1-yl)prop-2-enoate is sourced from PubChem (CID 79896612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).