1-methyl-4-[3-(2-oxopropyl)phenyl]piperazine-2,5-dione

C14H16N2O3 — CID 117404685

IUPAC1-methyl-4-[3-(2-oxopropyl)phenyl]piperazine-2,5-dione
SMILESCC(=O)Cc1cccc(N2CC(=O)N(C)CC2=O)c1
InChIInChI=1S/C14H16N2O3/c1-10(17)6-11-4-3-5-12(7-11)16-9-13(18)15(2)8-14(16)19/h3-5,7H,6,8-9H2,1-2H3
InChIKeyJLUGGKWAPHTARG-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.62
Rot. Bonds3

About 1-methyl-4-[3-(2-oxopropyl)phenyl]piperazine-2,5-dione

1-methyl-4-[3-(2-oxopropyl)phenyl]piperazine-2,5-dione (PubChem CID 117404685) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 1-methyl-4-[3-(2-oxopropyl)phenyl]piperazine-2,5-dione.

Molecular Properties

Compound Name1-methyl-4-[3-(2-oxopropyl)phenyl]piperazine-2,5-dione
PubChem CID117404685
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name1-methyl-4-[3-(2-oxopropyl)phenyl]piperazine-2,5-dione
SMILESCC(=O)Cc1cccc(N2CC(=O)N(C)CC2=O)c1
InChIInChI=1S/C14H16N2O3/c1-10(17)6-11-4-3-5-12(7-11)16-9-13(18)15(2)8-14(16)19/h3-5,7H,6,8-9H2,1-2H3
InChIKeyJLUGGKWAPHTARG-UHFFFAOYSA-N
XLogP0.62
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-[3-(2-oxopropyl)phenyl]piperazine-2,3-dione
CID 117404686
1-[3-[(hydroxyamino)methyl]phenyl]-4-methylpiperazine-2,5-dione
CID 117375814
1-[3-(3-hydroxypropyl)phenyl]-4-methylpiperazine-2,5-dione
CID 117410325
1-(3-piperazin-1-ylphenyl)propan-2-one
CID 123427717
2-amino-3-[3-(4-methyl-2-oxopiperazin-1-yl)phenyl]propanamide
CID 175395530
1-(3-imidazol-1-ylphenyl)propan-2-one
CID 82607597
1-[3-[1-(aminomethyl)cyclopentyl]phenyl]-4-methylpiperazine-2,5-dione
CID 117485623
1-[4-(2-hydroxyethyl)phenyl]-4-methylpiperazine-2,5-dione
CID 117373479
1-(3-chlorophenyl)propan-2-one
CID 2734097
1-(3-acetylphenyl)propan-2-one
CID 12950417
1-[3-(5-cyclopropylpyrazol-1-yl)phenyl]propan-2-one
CID 117353584
1-[4-[(hydroxyamino)methyl]phenyl]-4-methylpiperazine-2,5-dione
CID 117375820

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-(2-oxopropyl)phenyl]piperazine-2,5-dione?
The IUPAC name of 1-methyl-4-[3-(2-oxopropyl)phenyl]piperazine-2,5-dione (CID 117404685) is 1-methyl-4-[3-(2-oxopropyl)phenyl]piperazine-2,5-dione.
What is the SMILES notation for 1-methyl-4-[3-(2-oxopropyl)phenyl]piperazine-2,5-dione?
The canonical SMILES for 1-methyl-4-[3-(2-oxopropyl)phenyl]piperazine-2,5-dione is CC(=O)Cc1cccc(N2CC(=O)N(C)CC2=O)c1.
What is the InChIKey of 1-methyl-4-[3-(2-oxopropyl)phenyl]piperazine-2,5-dione?
The InChIKey is JLUGGKWAPHTARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-10(17)6-11-4-3-5-12(7-11)16-9-13(18)15(2)8-14(16)19/h3-5,7H,6,8-9H2,1-2H3.
What are the key properties of 1-methyl-4-[3-(2-oxopropyl)phenyl]piperazine-2,5-dione?
1-methyl-4-[3-(2-oxopropyl)phenyl]piperazine-2,5-dione has a molecular weight of 260.29 g/mol, XLogP of 0.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-(2-oxopropyl)phenyl]piperazine-2,5-dione is sourced from PubChem (CID 117404685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).