4-[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]piperazin-2-one

C15H18N2O4 — CID 2542254

IUPAC4-[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]piperazin-2-one
SMILESCOc1ccc(/C=C/C(=O)N2CCNC(=O)C2)c(OC)c1
InChIInChI=1S/C15H18N2O4/c1-20-12-5-3-11(13(9-12)21-2)4-6-15(19)17-8-7-16-14(18)10-17/h3-6,9H,7-8,10H2,1-2H3,(H,16,18)/b6-4+
InChIKeyUXSGOBFVGPXNDM-GQCTYLIASA-N
MW290.32 g/mol
LogP0.68
Rot. Bonds4

About 4-[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]piperazin-2-one

4-[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]piperazin-2-one (PubChem CID 2542254) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 4-[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]piperazin-2-one.

Molecular Properties

Compound Name4-[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]piperazin-2-one
PubChem CID2542254
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name4-[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]piperazin-2-one
SMILESCOc1ccc(/C=C/C(=O)N2CCNC(=O)C2)c(OC)c1
InChIInChI=1S/C15H18N2O4/c1-20-12-5-3-11(13(9-12)21-2)4-6-15(19)17-8-7-16-14(18)10-17/h3-6,9H,7-8,10H2,1-2H3,(H,16,18)/b6-4+
InChIKeyUXSGOBFVGPXNDM-GQCTYLIASA-N
XLogP0.68
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.68
H-Bond Donors ≤ 51
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 4-[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]piperazin-2-one?
The IUPAC name of 4-[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]piperazin-2-one (CID 2542254) is 4-[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]piperazin-2-one.
What is the SMILES notation for 4-[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]piperazin-2-one?
The canonical SMILES for 4-[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]piperazin-2-one is COc1ccc(/C=C/C(=O)N2CCNC(=O)C2)c(OC)c1.
What is the InChIKey of 4-[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]piperazin-2-one?
The InChIKey is UXSGOBFVGPXNDM-GQCTYLIASA-N. The full InChI is InChI=1S/C15H18N2O4/c1-20-12-5-3-11(13(9-12)21-2)4-6-15(19)17-8-7-16-14(18)10-17/h3-6,9H,7-8,10H2,1-2H3,(H,16,18)/b6-4+.
What are the key properties of 4-[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]piperazin-2-one?
4-[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]piperazin-2-one has a molecular weight of 290.32 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]piperazin-2-one is sourced from PubChem (CID 2542254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).