N-iodo-2-piperazin-1-ylacetamide

C6H12IN3O — CID 171526171

IUPACN-iodo-2-piperazin-1-ylacetamide
SMILESO=C(CN1CCNCC1)NI
InChIInChI=1S/C6H12IN3O/c7-9-6(11)5-10-3-1-8-2-4-10/h8H,1-5H2,(H,9,11)
InChIKeyZPYLQHINLRQYCE-UHFFFAOYSA-N
MW269.09 g/mol
LogP-0.64
Rot. Bonds2

About N-iodo-2-piperazin-1-ylacetamide

N-iodo-2-piperazin-1-ylacetamide (PubChem CID 171526171) has the molecular formula C6H12IN3O and a molecular weight of 269.09 g/mol. Its IUPAC name is N-iodo-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-iodo-2-piperazin-1-ylacetamide
PubChem CID171526171
Molecular FormulaC6H12IN3O
Molecular Weight269.09 g/mol
Exact Mass269.00
IUPAC NameN-iodo-2-piperazin-1-ylacetamide
SMILESO=C(CN1CCNCC1)NI
InChIInChI=1S/C6H12IN3O/c7-9-6(11)5-10-3-1-8-2-4-10/h8H,1-5H2,(H,9,11)
InChIKeyZPYLQHINLRQYCE-UHFFFAOYSA-N
XLogP-0.64
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.09
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-[7-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetamide
CID 10615193
N-acetyl-2-piperazin-1-ylacetamide
CID 67050352
2-piperazin-1-ylacetyl iodide
CID 153235141
methyl N-(2-piperazin-1-ylacetyl)carbamate
CID 43162377
2-(1,4-diazepan-1-yl)acetohydrazide
CID 63577135
2-[7-(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;dihydrochloride
CID 154804834
1-((415N)1,4-diazinan-1-yl)propan-2-one
CID 58823346
CID 140659696
CID 140659696
2-piperazin-1-ylacetic acid;dihydrochloride
CID 53433190
2-[(2-piperazin-1-ylacetyl)amino]propanoic acid
CID 61157899
2-hydroxy-3-[(2-piperazin-1-ylacetyl)amino]propanoic acid
CID 66167593
N-(cyclobutylmethyl)-2-piperazin-1-ylacetamide
CID 43298878

Frequently Asked Questions

What is the IUPAC name of N-iodo-2-piperazin-1-ylacetamide?
The IUPAC name of N-iodo-2-piperazin-1-ylacetamide (CID 171526171) is N-iodo-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-iodo-2-piperazin-1-ylacetamide?
The canonical SMILES for N-iodo-2-piperazin-1-ylacetamide is O=C(CN1CCNCC1)NI.
What is the InChIKey of N-iodo-2-piperazin-1-ylacetamide?
The InChIKey is ZPYLQHINLRQYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12IN3O/c7-9-6(11)5-10-3-1-8-2-4-10/h8H,1-5H2,(H,9,11).
What are the key properties of N-iodo-2-piperazin-1-ylacetamide?
N-iodo-2-piperazin-1-ylacetamide has a molecular weight of 269.09 g/mol, XLogP of -0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-iodo-2-piperazin-1-ylacetamide is sourced from PubChem (CID 171526171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).