6-cyclopropyl-1-[(4-iodophenyl)methyl]-3-methylpiperazine-2,5-dione

C15H17IN2O2 — CID 65490977

IUPAC6-cyclopropyl-1-[(4-iodophenyl)methyl]-3-methylpiperazine-2,5-dione
SMILESCC1NC(=O)C(C2CC2)N(Cc2ccc(I)cc2)C1=O
InChIInChI=1S/C15H17IN2O2/c1-9-15(20)18(8-10-2-6-12(16)7-3-10)13(11-4-5-11)14(19)17-9/h2-3,6-7,9,11,13H,4-5,8H2,1H3,(H,17,19)
InChIKeyDAXFJCJDKGRAGY-UHFFFAOYSA-N
MW384.22 g/mol
LogP1.92
Rot. Bonds3

About 6-cyclopropyl-1-[(4-iodophenyl)methyl]-3-methylpiperazine-2,5-dione

6-cyclopropyl-1-[(4-iodophenyl)methyl]-3-methylpiperazine-2,5-dione (PubChem CID 65490977) has the molecular formula C15H17IN2O2 and a molecular weight of 384.22 g/mol. Its IUPAC name is 6-cyclopropyl-1-[(4-iodophenyl)methyl]-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-cyclopropyl-1-[(4-iodophenyl)methyl]-3-methylpiperazine-2,5-dione
PubChem CID65490977
Molecular FormulaC15H17IN2O2
Molecular Weight384.22 g/mol
Exact Mass384.03
IUPAC Name6-cyclopropyl-1-[(4-iodophenyl)methyl]-3-methylpiperazine-2,5-dione
SMILESCC1NC(=O)C(C2CC2)N(Cc2ccc(I)cc2)C1=O
InChIInChI=1S/C15H17IN2O2/c1-9-15(20)18(8-10-2-6-12(16)7-3-10)13(11-4-5-11)14(19)17-9/h2-3,6-7,9,11,13H,4-5,8H2,1H3,(H,17,19)
InChIKeyDAXFJCJDKGRAGY-UHFFFAOYSA-N
XLogP1.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.22
LogP ≤ 51.92
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 6-cyclopropyl-1-[(4-iodophenyl)methyl]-3-methylpiperazine-2,5-dione?
The IUPAC name of 6-cyclopropyl-1-[(4-iodophenyl)methyl]-3-methylpiperazine-2,5-dione (CID 65490977) is 6-cyclopropyl-1-[(4-iodophenyl)methyl]-3-methylpiperazine-2,5-dione.
What is the SMILES notation for 6-cyclopropyl-1-[(4-iodophenyl)methyl]-3-methylpiperazine-2,5-dione?
The canonical SMILES for 6-cyclopropyl-1-[(4-iodophenyl)methyl]-3-methylpiperazine-2,5-dione is CC1NC(=O)C(C2CC2)N(Cc2ccc(I)cc2)C1=O.
What is the InChIKey of 6-cyclopropyl-1-[(4-iodophenyl)methyl]-3-methylpiperazine-2,5-dione?
The InChIKey is DAXFJCJDKGRAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17IN2O2/c1-9-15(20)18(8-10-2-6-12(16)7-3-10)13(11-4-5-11)14(19)17-9/h2-3,6-7,9,11,13H,4-5,8H2,1H3,(H,17,19).
What are the key properties of 6-cyclopropyl-1-[(4-iodophenyl)methyl]-3-methylpiperazine-2,5-dione?
6-cyclopropyl-1-[(4-iodophenyl)methyl]-3-methylpiperazine-2,5-dione has a molecular weight of 384.22 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-1-[(4-iodophenyl)methyl]-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 65490977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).