4-[3-(2-methoxy-5-methylphenyl)prop-2-enoyl]piperazine-2,6-dione

C15H16N2O4 — CID 77111424

IUPAC4-[3-(2-methoxy-5-methylphenyl)prop-2-enoyl]piperazine-2,6-dione
SMILESCOc1ccc(C)cc1C=CC(=O)N1CC(=O)NC(=O)C1
InChIInChI=1S/C15H16N2O4/c1-10-3-5-12(21-2)11(7-10)4-6-15(20)17-8-13(18)16-14(19)9-17/h3-7H,8-9H2,1-2H3,(H,16,18,19)
InChIKeyKOORPYXSCZTMKH-UHFFFAOYSA-N
MW288.30 g/mol
LogP0.50
Rot. Bonds3

About 4-[3-(2-methoxy-5-methylphenyl)prop-2-enoyl]piperazine-2,6-dione

4-[3-(2-methoxy-5-methylphenyl)prop-2-enoyl]piperazine-2,6-dione (PubChem CID 77111424) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 4-[3-(2-methoxy-5-methylphenyl)prop-2-enoyl]piperazine-2,6-dione.

Molecular Properties

Compound Name4-[3-(2-methoxy-5-methylphenyl)prop-2-enoyl]piperazine-2,6-dione
PubChem CID77111424
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name4-[3-(2-methoxy-5-methylphenyl)prop-2-enoyl]piperazine-2,6-dione
SMILESCOc1ccc(C)cc1C=CC(=O)N1CC(=O)NC(=O)C1
InChIInChI=1S/C15H16N2O4/c1-10-3-5-12(21-2)11(7-10)4-6-15(20)17-8-13(18)16-14(19)9-17/h3-7H,8-9H2,1-2H3,(H,16,18,19)
InChIKeyKOORPYXSCZTMKH-UHFFFAOYSA-N
XLogP0.50
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(2-methoxyphenyl)prop-2-enoyl]piperazine-2,6-dione
CID 77111354
(E)-1-(2,6-dimethylmorpholin-4-yl)-3-(2-methoxy-5-methylphenyl)prop-2-en-1-one
CID 51218594
(E)-1-[4-(4-chlorobenzoyl)piperazin-1-yl]-3-(2-methoxy-5-methylphenyl)prop-2-en-1-one
CID 55551303
methyl 3-(2-methoxy-5-methylphenyl)prop-2-enoate
CID 54032355
4-[3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]-1,4-diazepan-2-one
CID 76976758
(E)-3-(2-methoxy-5-methylphenyl)-1-[4-(4-nitrophenyl)piperazin-1-yl]prop-2-en-1-one
CID 7601941
2-[4-[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]piperazin-1-yl]-N-propylacetamide
CID 31425149
(E)-3-(2,5-dimethoxyphenyl)-1-pyrrolidin-1-ylprop-2-en-1-one
CID 51058065
4-(2-methoxy-5-methylphenyl)piperazine-2,6-dione
CID 55236738
(E)-3-(2-methoxy-5-methylphenyl)-1-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one
CID 9472244
(E)-N-cyclopropyl-3-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 9210143
4-(2-methoxy-5-methylphenyl)sulfonylpiperazine-2,6-dione
CID 66085376

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methoxy-5-methylphenyl)prop-2-enoyl]piperazine-2,6-dione?
The IUPAC name of 4-[3-(2-methoxy-5-methylphenyl)prop-2-enoyl]piperazine-2,6-dione (CID 77111424) is 4-[3-(2-methoxy-5-methylphenyl)prop-2-enoyl]piperazine-2,6-dione.
What is the SMILES notation for 4-[3-(2-methoxy-5-methylphenyl)prop-2-enoyl]piperazine-2,6-dione?
The canonical SMILES for 4-[3-(2-methoxy-5-methylphenyl)prop-2-enoyl]piperazine-2,6-dione is COc1ccc(C)cc1C=CC(=O)N1CC(=O)NC(=O)C1.
What is the InChIKey of 4-[3-(2-methoxy-5-methylphenyl)prop-2-enoyl]piperazine-2,6-dione?
The InChIKey is KOORPYXSCZTMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-10-3-5-12(21-2)11(7-10)4-6-15(20)17-8-13(18)16-14(19)9-17/h3-7H,8-9H2,1-2H3,(H,16,18,19).
What are the key properties of 4-[3-(2-methoxy-5-methylphenyl)prop-2-enoyl]piperazine-2,6-dione?
4-[3-(2-methoxy-5-methylphenyl)prop-2-enoyl]piperazine-2,6-dione has a molecular weight of 288.30 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methoxy-5-methylphenyl)prop-2-enoyl]piperazine-2,6-dione is sourced from PubChem (CID 77111424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).