1-(4-iodophenyl)piperazin-2-one

C10H11IN2O — CID 86225191

IUPAC1-(4-iodophenyl)piperazin-2-one
SMILESO=C1CNCCN1c1ccc(I)cc1
InChIInChI=1S/C10H11IN2O/c11-8-1-3-9(4-2-8)13-6-5-12-7-10(13)14/h1-4,12H,5-7H2
InChIKeyHXOBOEUWEZHNLC-UHFFFAOYSA-N
MW302.12 g/mol
LogP1.23
Rot. Bonds1

About 1-(4-iodophenyl)piperazin-2-one

1-(4-iodophenyl)piperazin-2-one (PubChem CID 86225191) has the molecular formula C10H11IN2O and a molecular weight of 302.12 g/mol. Its IUPAC name is 1-(4-iodophenyl)piperazin-2-one.

Molecular Properties

Compound Name1-(4-iodophenyl)piperazin-2-one
PubChem CID86225191
Molecular FormulaC10H11IN2O
Molecular Weight302.12 g/mol
Exact Mass301.99
IUPAC Name1-(4-iodophenyl)piperazin-2-one
SMILESO=C1CNCCN1c1ccc(I)cc1
InChIInChI=1S/C10H11IN2O/c11-8-1-3-9(4-2-8)13-6-5-12-7-10(13)14/h1-4,12H,5-7H2
InChIKeyHXOBOEUWEZHNLC-UHFFFAOYSA-N
XLogP1.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.12
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-(4-methylphenyl)piperazin-2-one
CID 142224264
1-(4-methoxyphenyl)piperazin-2-one
CID 15400020
1-(4-isocyanatophenyl)piperazin-2-one
CID 169355004
1-(4-propan-2-yloxyphenyl)piperazin-2-one
CID 64567030
1-phenyl-1,4-diazepan-2-one
CID 69457460
2-[[4-(2-oxopiperazin-1-yl)anilino]methylidene]propanedinitrile
CID 168544486
1-[6-(aminomethyl)-3-pyridinyl]piperazin-2-one
CID 163672334
1-(6-ethyl-3-pyridinyl)piperazin-2-one
CID 139539008
1-(3-cyclopropyl-4-methylphenyl)piperazin-2-one
CID 155722107
1-(6-iodo-3-pyridinyl)-1,4-diazepan-2-one
CID 134405874
1-(4-methoxyphenyl)-1,4-diazocan-2-one
CID 117016195
ethane;1-(6-nitro-3-pyridinyl)piperazin-2-one
CID 144913210

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodophenyl)piperazin-2-one?
The IUPAC name of 1-(4-iodophenyl)piperazin-2-one (CID 86225191) is 1-(4-iodophenyl)piperazin-2-one.
What is the SMILES notation for 1-(4-iodophenyl)piperazin-2-one?
The canonical SMILES for 1-(4-iodophenyl)piperazin-2-one is O=C1CNCCN1c1ccc(I)cc1.
What is the InChIKey of 1-(4-iodophenyl)piperazin-2-one?
The InChIKey is HXOBOEUWEZHNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IN2O/c11-8-1-3-9(4-2-8)13-6-5-12-7-10(13)14/h1-4,12H,5-7H2.
What are the key properties of 1-(4-iodophenyl)piperazin-2-one?
1-(4-iodophenyl)piperazin-2-one has a molecular weight of 302.12 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodophenyl)piperazin-2-one is sourced from PubChem (CID 86225191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).