4-(5-iodo-2-pyridinyl)-1-methylpiperazin-2-one

C10H12IN3O — CID 135301834

IUPAC4-(5-iodo-2-pyridinyl)-1-methylpiperazin-2-one
SMILESCN1CCN(c2ccc(I)cn2)CC1=O
InChIInChI=1S/C10H12IN3O/c1-13-4-5-14(7-10(13)15)9-3-2-8(11)6-12-9/h2-3,6H,4-5,7H2,1H3
InChIKeyZILHULLVRRGICE-UHFFFAOYSA-N
MW317.13 g/mol
LogP0.96
Rot. Bonds1

About 4-(5-iodo-2-pyridinyl)-1-methylpiperazin-2-one

4-(5-iodo-2-pyridinyl)-1-methylpiperazin-2-one (PubChem CID 135301834) has the molecular formula C10H12IN3O and a molecular weight of 317.13 g/mol. Its IUPAC name is 4-(5-iodo-2-pyridinyl)-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(5-iodo-2-pyridinyl)-1-methylpiperazin-2-one
PubChem CID135301834
Molecular FormulaC10H12IN3O
Molecular Weight317.13 g/mol
Exact Mass317.00
IUPAC Name4-(5-iodo-2-pyridinyl)-1-methylpiperazin-2-one
SMILESCN1CCN(c2ccc(I)cn2)CC1=O
InChIInChI=1S/C10H12IN3O/c1-13-4-5-14(7-10(13)15)9-3-2-8(11)6-12-9/h2-3,6H,4-5,7H2,1H3
InChIKeyZILHULLVRRGICE-UHFFFAOYSA-N
XLogP0.96
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.13
LogP ≤ 50.96
H-Bond Donors ≤ 50
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 4-(5-iodo-2-pyridinyl)-1-methylpiperazin-2-one?
The IUPAC name of 4-(5-iodo-2-pyridinyl)-1-methylpiperazin-2-one (CID 135301834) is 4-(5-iodo-2-pyridinyl)-1-methylpiperazin-2-one.
What is the SMILES notation for 4-(5-iodo-2-pyridinyl)-1-methylpiperazin-2-one?
The canonical SMILES for 4-(5-iodo-2-pyridinyl)-1-methylpiperazin-2-one is CN1CCN(c2ccc(I)cn2)CC1=O.
What is the InChIKey of 4-(5-iodo-2-pyridinyl)-1-methylpiperazin-2-one?
The InChIKey is ZILHULLVRRGICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12IN3O/c1-13-4-5-14(7-10(13)15)9-3-2-8(11)6-12-9/h2-3,6H,4-5,7H2,1H3.
What are the key properties of 4-(5-iodo-2-pyridinyl)-1-methylpiperazin-2-one?
4-(5-iodo-2-pyridinyl)-1-methylpiperazin-2-one has a molecular weight of 317.13 g/mol, XLogP of 0.96, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-iodo-2-pyridinyl)-1-methylpiperazin-2-one is sourced from PubChem (CID 135301834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).