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

C9H16N2O2 — CID 124658241

IUPACmethyl (Z)-3-(4-methylpiperazin-1-yl)prop-2-enoate
SMILESCOC(=O)/C=C\N1CCN(C)CC1
InChIInChI=1S/C9H16N2O2/c1-10-5-7-11(8-6-10)4-3-9(12)13-2/h3-4H,5-8H2,1-2H3/b4-3-
InChIKeyLPGRGFKNHWIYLP-ARJAWSKDSA-N
MW184.24 g/mol
LogP-0.08
Rot. Bonds2

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

methyl (Z)-3-(4-methylpiperazin-1-yl)prop-2-enoate (PubChem CID 124658241) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is methyl (Z)-3-(4-methylpiperazin-1-yl)prop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-3-(4-methylpiperazin-1-yl)prop-2-enoate
PubChem CID124658241
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Namemethyl (Z)-3-(4-methylpiperazin-1-yl)prop-2-enoate
SMILESCOC(=O)/C=C\N1CCN(C)CC1
InChIInChI=1S/C9H16N2O2/c1-10-5-7-11(8-6-10)4-3-9(12)13-2/h3-4H,5-8H2,1-2H3/b4-3-
InChIKeyLPGRGFKNHWIYLP-ARJAWSKDSA-N
XLogP-0.08
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.08
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 (Z)-3-(4-methylpiperazin-1-yl)prop-2-enoate?
The IUPAC name of methyl (Z)-3-(4-methylpiperazin-1-yl)prop-2-enoate (CID 124658241) is methyl (Z)-3-(4-methylpiperazin-1-yl)prop-2-enoate.
What is the SMILES notation for methyl (Z)-3-(4-methylpiperazin-1-yl)prop-2-enoate?
The canonical SMILES for methyl (Z)-3-(4-methylpiperazin-1-yl)prop-2-enoate is COC(=O)/C=C\N1CCN(C)CC1.
What is the InChIKey of methyl (Z)-3-(4-methylpiperazin-1-yl)prop-2-enoate?
The InChIKey is LPGRGFKNHWIYLP-ARJAWSKDSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-10-5-7-11(8-6-10)4-3-9(12)13-2/h3-4H,5-8H2,1-2H3/b4-3-.
What are the key properties of methyl (Z)-3-(4-methylpiperazin-1-yl)prop-2-enoate?
methyl (Z)-3-(4-methylpiperazin-1-yl)prop-2-enoate has a molecular weight of 184.24 g/mol, XLogP of -0.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-3-(4-methylpiperazin-1-yl)prop-2-enoate is sourced from PubChem (CID 124658241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).