1-[2-(4-iodophenyl)-2-oxoethyl]-4-propylpiperazine-2,5-dione

C15H17IN2O3 — CID 79936681

IUPAC1-[2-(4-iodophenyl)-2-oxoethyl]-4-propylpiperazine-2,5-dione
SMILESCCCN1CC(=O)N(CC(=O)c2ccc(I)cc2)CC1=O
InChIInChI=1S/C15H17IN2O3/c1-2-7-17-9-15(21)18(10-14(17)20)8-13(19)11-3-5-12(16)6-4-11/h3-6H,2,7-10H2,1H3
InChIKeyBEHMPEHTKMOYNY-UHFFFAOYSA-N
MW400.22 g/mol
LogP1.55
Rot. Bonds5

About 1-[2-(4-iodophenyl)-2-oxoethyl]-4-propylpiperazine-2,5-dione

1-[2-(4-iodophenyl)-2-oxoethyl]-4-propylpiperazine-2,5-dione (PubChem CID 79936681) has the molecular formula C15H17IN2O3 and a molecular weight of 400.22 g/mol. Its IUPAC name is 1-[2-(4-iodophenyl)-2-oxoethyl]-4-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[2-(4-iodophenyl)-2-oxoethyl]-4-propylpiperazine-2,5-dione
PubChem CID79936681
Molecular FormulaC15H17IN2O3
Molecular Weight400.22 g/mol
Exact Mass400.03
IUPAC Name1-[2-(4-iodophenyl)-2-oxoethyl]-4-propylpiperazine-2,5-dione
SMILESCCCN1CC(=O)N(CC(=O)c2ccc(I)cc2)CC1=O
InChIInChI=1S/C15H17IN2O3/c1-2-7-17-9-15(21)18(10-14(17)20)8-13(19)11-3-5-12(16)6-4-11/h3-6H,2,7-10H2,1H3
InChIKeyBEHMPEHTKMOYNY-UHFFFAOYSA-N
XLogP1.55
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.22
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-iodophenyl)methyl]-4-propylpiperazine-2,5-dione
CID 79941944
1-(2-oxopentyl)-4-propylpiperazine-2,5-dione
CID 79941384
1-(3,3-dimethyl-2-oxobutyl)-4-propylpiperazine-2,5-dione
CID 79942486
1-(2-oxo-3-phenylpropyl)-4-propylpiperazine-2,5-dione
CID 79936892
ethyl 2-(2,5-dioxo-4-propylpiperazin-1-yl)acetate
CID 79937200
4-[2-(4-iodophenyl)-2-oxoethyl]piperazine-2,6-dione
CID 66083973
2-(3,4-dimethylpyrrolidin-1-yl)-1-(4-iodophenyl)ethanone
CID 79188459
1-[2-(4-iodophenyl)-2-oxoethyl]-4-methylpyrazine-2,3-dione
CID 55156628
2-(4-ethylpiperidin-1-yl)-1-(4-iodophenyl)ethanone
CID 61421640
4-[2-(4-iodophenyl)-2-oxoethyl]-3-methylpiperazine-2,6-dione
CID 66061810
1-[2-(4-iodophenyl)-2-oxoethyl]-6-methylpyridin-2-one
CID 62025283
2-(3-ethylmorpholin-4-yl)-1-(4-iodophenyl)ethanone
CID 43797578

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-iodophenyl)-2-oxoethyl]-4-propylpiperazine-2,5-dione?
The IUPAC name of 1-[2-(4-iodophenyl)-2-oxoethyl]-4-propylpiperazine-2,5-dione (CID 79936681) is 1-[2-(4-iodophenyl)-2-oxoethyl]-4-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-[2-(4-iodophenyl)-2-oxoethyl]-4-propylpiperazine-2,5-dione?
The canonical SMILES for 1-[2-(4-iodophenyl)-2-oxoethyl]-4-propylpiperazine-2,5-dione is CCCN1CC(=O)N(CC(=O)c2ccc(I)cc2)CC1=O.
What is the InChIKey of 1-[2-(4-iodophenyl)-2-oxoethyl]-4-propylpiperazine-2,5-dione?
The InChIKey is BEHMPEHTKMOYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17IN2O3/c1-2-7-17-9-15(21)18(10-14(17)20)8-13(19)11-3-5-12(16)6-4-11/h3-6H,2,7-10H2,1H3.
What are the key properties of 1-[2-(4-iodophenyl)-2-oxoethyl]-4-propylpiperazine-2,5-dione?
1-[2-(4-iodophenyl)-2-oxoethyl]-4-propylpiperazine-2,5-dione has a molecular weight of 400.22 g/mol, XLogP of 1.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-iodophenyl)-2-oxoethyl]-4-propylpiperazine-2,5-dione is sourced from PubChem (CID 79936681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).