ethyl (E)-3-[4-methyl-6-(4-methylpiperazin-1-yl)-5-oxopyrazin-2-yl]prop-2-enoate

C15H22N4O3 — CID 153363112

IUPACethyl (E)-3-[4-methyl-6-(4-methylpiperazin-1-yl)-5-oxopyrazin-2-yl]prop-2-enoate
SMILESCCOC(=O)/C=C/c1cn(C)c(=O)c(N2CCN(C)CC2)n1
InChIInChI=1S/C15H22N4O3/c1-4-22-13(20)6-5-12-11-18(3)15(21)14(16-12)19-9-7-17(2)8-10-19/h5-6,11H,4,7-10H2,1-3H3/b6-5+
InChIKeyHIDHWOCHTFQWBF-AATRIKPKSA-N
MW306.37 g/mol
LogP0.11
Rot. Bonds4

About ethyl (E)-3-[4-methyl-6-(4-methylpiperazin-1-yl)-5-oxopyrazin-2-yl]prop-2-enoate

ethyl (E)-3-[4-methyl-6-(4-methylpiperazin-1-yl)-5-oxopyrazin-2-yl]prop-2-enoate (PubChem CID 153363112) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is ethyl (E)-3-[4-methyl-6-(4-methylpiperazin-1-yl)-5-oxopyrazin-2-yl]prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-[4-methyl-6-(4-methylpiperazin-1-yl)-5-oxopyrazin-2-yl]prop-2-enoate
PubChem CID153363112
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Nameethyl (E)-3-[4-methyl-6-(4-methylpiperazin-1-yl)-5-oxopyrazin-2-yl]prop-2-enoate
SMILESCCOC(=O)/C=C/c1cn(C)c(=O)c(N2CCN(C)CC2)n1
InChIInChI=1S/C15H22N4O3/c1-4-22-13(20)6-5-12-11-18(3)15(21)14(16-12)19-9-7-17(2)8-10-19/h5-6,11H,4,7-10H2,1-3H3/b6-5+
InChIKeyHIDHWOCHTFQWBF-AATRIKPKSA-N
XLogP0.11
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[4-[4-(dimethylsulfamoyl)phenyl]-6-[(E)-3-ethoxy-3-oxoprop-1-enyl]-3-oxopyrazin-2-yl]piperazine-1-carboxylic acid
CID 146243087
ethyl 3-(1-methyltriazol-4-yl)prop-2-enoate
CID 123774652
CID 174101874
CID 174101874
ethyl (E)-3-[4-(4-methylsulfonylphenyl)-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-5-oxopyrazin-2-yl]prop-2-enoate
CID 146251921
ethyl (E)-3-(4-methylpiperazin-1-yl)prop-2-enoate
CID 15300719
ethyl 3-[4-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-5-oxopyrazin-2-yl]propanoate
CID 146242982
ethyl 3-(6-carbamoyl-2-pyridinyl)prop-2-enoate
CID 169480330
3-[6-(3-ethoxy-3-oxoprop-1-enyl)-2-pyridinyl]prop-2-enoic acid
CID 67083970
ethyl 3-(6-amino-2-pyridinyl)prop-2-enoate
CID 169480000
ethyl 3-(6-methylpyridazin-3-yl)prop-2-enoate
CID 169479999
ethyl (E)-3-(1-ethylpyrazol-4-yl)prop-2-enoate
CID 118170825
ethyl (E)-3-(4-formyl-1-methylpyrrol-2-yl)prop-2-enoate
CID 11148447

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-[4-methyl-6-(4-methylpiperazin-1-yl)-5-oxopyrazin-2-yl]prop-2-enoate?
The IUPAC name of ethyl (E)-3-[4-methyl-6-(4-methylpiperazin-1-yl)-5-oxopyrazin-2-yl]prop-2-enoate (CID 153363112) is ethyl (E)-3-[4-methyl-6-(4-methylpiperazin-1-yl)-5-oxopyrazin-2-yl]prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-[4-methyl-6-(4-methylpiperazin-1-yl)-5-oxopyrazin-2-yl]prop-2-enoate?
The canonical SMILES for ethyl (E)-3-[4-methyl-6-(4-methylpiperazin-1-yl)-5-oxopyrazin-2-yl]prop-2-enoate is CCOC(=O)/C=C/c1cn(C)c(=O)c(N2CCN(C)CC2)n1.
What is the InChIKey of ethyl (E)-3-[4-methyl-6-(4-methylpiperazin-1-yl)-5-oxopyrazin-2-yl]prop-2-enoate?
The InChIKey is HIDHWOCHTFQWBF-AATRIKPKSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-4-22-13(20)6-5-12-11-18(3)15(21)14(16-12)19-9-7-17(2)8-10-19/h5-6,11H,4,7-10H2,1-3H3/b6-5+.
What are the key properties of ethyl (E)-3-[4-methyl-6-(4-methylpiperazin-1-yl)-5-oxopyrazin-2-yl]prop-2-enoate?
ethyl (E)-3-[4-methyl-6-(4-methylpiperazin-1-yl)-5-oxopyrazin-2-yl]prop-2-enoate has a molecular weight of 306.37 g/mol, XLogP of 0.11, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-[4-methyl-6-(4-methylpiperazin-1-yl)-5-oxopyrazin-2-yl]prop-2-enoate is sourced from PubChem (CID 153363112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).