1-[(4-iodophenyl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione

C15H19IN2O2 — CID 65491574

IUPAC1-[(4-iodophenyl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione
SMILESCC(C)CC1NC(=O)CN(Cc2ccc(I)cc2)C1=O
InChIInChI=1S/C15H19IN2O2/c1-10(2)7-13-15(20)18(9-14(19)17-13)8-11-3-5-12(16)6-4-11/h3-6,10,13H,7-9H2,1-2H3,(H,17,19)
InChIKeyRJWNZTZSHHQMOP-UHFFFAOYSA-N
MW386.23 g/mol
LogP2.16
Rot. Bonds4

About 1-[(4-iodophenyl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione

1-[(4-iodophenyl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione (PubChem CID 65491574) has the molecular formula C15H19IN2O2 and a molecular weight of 386.23 g/mol. Its IUPAC name is 1-[(4-iodophenyl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-[(4-iodophenyl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione
PubChem CID65491574
Molecular FormulaC15H19IN2O2
Molecular Weight386.23 g/mol
Exact Mass386.05
IUPAC Name1-[(4-iodophenyl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione
SMILESCC(C)CC1NC(=O)CN(Cc2ccc(I)cc2)C1=O
InChIInChI=1S/C15H19IN2O2/c1-10(2)7-13-15(20)18(9-14(19)17-13)8-11-3-5-12(16)6-4-11/h3-6,10,13H,7-9H2,1-2H3,(H,17,19)
InChIKeyRJWNZTZSHHQMOP-UHFFFAOYSA-N
XLogP2.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.23
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-iodophenyl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione?
The IUPAC name of 1-[(4-iodophenyl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione (CID 65491574) is 1-[(4-iodophenyl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione.
What is the SMILES notation for 1-[(4-iodophenyl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione?
The canonical SMILES for 1-[(4-iodophenyl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione is CC(C)CC1NC(=O)CN(Cc2ccc(I)cc2)C1=O.
What is the InChIKey of 1-[(4-iodophenyl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione?
The InChIKey is RJWNZTZSHHQMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19IN2O2/c1-10(2)7-13-15(20)18(9-14(19)17-13)8-11-3-5-12(16)6-4-11/h3-6,10,13H,7-9H2,1-2H3,(H,17,19).
What are the key properties of 1-[(4-iodophenyl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione?
1-[(4-iodophenyl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione has a molecular weight of 386.23 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-iodophenyl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione is sourced from PubChem (CID 65491574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).