2-(2,5-dimethylpiperazin-1-yl)-N-(2-iodophenyl)acetamide

C14H20IN3O — CID 64980495

IUPAC2-(2,5-dimethylpiperazin-1-yl)-N-(2-iodophenyl)acetamide
SMILESCC1CN(CC(=O)Nc2ccccc2I)C(C)CN1
InChIInChI=1S/C14H20IN3O/c1-10-8-18(11(2)7-16-10)9-14(19)17-13-6-4-3-5-12(13)15/h3-6,10-11,16H,7-9H2,1-2H3,(H,17,19)
InChIKeyFNFLUBIIIVBOOH-UHFFFAOYSA-N
MW373.24 g/mol
LogP1.91
Rot. Bonds3

About 2-(2,5-dimethylpiperazin-1-yl)-N-(2-iodophenyl)acetamide

2-(2,5-dimethylpiperazin-1-yl)-N-(2-iodophenyl)acetamide (PubChem CID 64980495) has the molecular formula C14H20IN3O and a molecular weight of 373.24 g/mol. Its IUPAC name is 2-(2,5-dimethylpiperazin-1-yl)-N-(2-iodophenyl)acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylpiperazin-1-yl)-N-(2-iodophenyl)acetamide
PubChem CID64980495
Molecular FormulaC14H20IN3O
Molecular Weight373.24 g/mol
Exact Mass373.07
IUPAC Name2-(2,5-dimethylpiperazin-1-yl)-N-(2-iodophenyl)acetamide
SMILESCC1CN(CC(=O)Nc2ccccc2I)C(C)CN1
InChIInChI=1S/C14H20IN3O/c1-10-8-18(11(2)7-16-10)9-14(19)17-13-6-4-3-5-12(13)15/h3-6,10-11,16H,7-9H2,1-2H3,(H,17,19)
InChIKeyFNFLUBIIIVBOOH-UHFFFAOYSA-N
XLogP1.91
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.24
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpiperazin-1-yl)-N-(2-iodophenyl)acetamide?
The IUPAC name of 2-(2,5-dimethylpiperazin-1-yl)-N-(2-iodophenyl)acetamide (CID 64980495) is 2-(2,5-dimethylpiperazin-1-yl)-N-(2-iodophenyl)acetamide.
What is the SMILES notation for 2-(2,5-dimethylpiperazin-1-yl)-N-(2-iodophenyl)acetamide?
The canonical SMILES for 2-(2,5-dimethylpiperazin-1-yl)-N-(2-iodophenyl)acetamide is CC1CN(CC(=O)Nc2ccccc2I)C(C)CN1.
What is the InChIKey of 2-(2,5-dimethylpiperazin-1-yl)-N-(2-iodophenyl)acetamide?
The InChIKey is FNFLUBIIIVBOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20IN3O/c1-10-8-18(11(2)7-16-10)9-14(19)17-13-6-4-3-5-12(13)15/h3-6,10-11,16H,7-9H2,1-2H3,(H,17,19).
What are the key properties of 2-(2,5-dimethylpiperazin-1-yl)-N-(2-iodophenyl)acetamide?
2-(2,5-dimethylpiperazin-1-yl)-N-(2-iodophenyl)acetamide has a molecular weight of 373.24 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpiperazin-1-yl)-N-(2-iodophenyl)acetamide is sourced from PubChem (CID 64980495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).