2-hydroxy-1-[4-(6-iodo-3-pyridinyl)piperazin-1-yl]ethanone

C11H14IN3O2 — CID 134406781

IUPAC2-hydroxy-1-[4-(6-iodo-3-pyridinyl)piperazin-1-yl]ethanone
SMILESO=C(CO)N1CCN(c2ccc(I)nc2)CC1
InChIInChI=1S/C11H14IN3O2/c12-10-2-1-9(7-13-10)14-3-5-15(6-4-14)11(17)8-16/h1-2,7,16H,3-6,8H2
InChIKeyYWTFLJBWDNKDJX-UHFFFAOYSA-N
MW347.16 g/mol
LogP0.33
Rot. Bonds2

About 2-hydroxy-1-[4-(6-iodo-3-pyridinyl)piperazin-1-yl]ethanone

2-hydroxy-1-[4-(6-iodo-3-pyridinyl)piperazin-1-yl]ethanone (PubChem CID 134406781) has the molecular formula C11H14IN3O2 and a molecular weight of 347.16 g/mol. Its IUPAC name is 2-hydroxy-1-[4-(6-iodo-3-pyridinyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-hydroxy-1-[4-(6-iodo-3-pyridinyl)piperazin-1-yl]ethanone
PubChem CID134406781
Molecular FormulaC11H14IN3O2
Molecular Weight347.16 g/mol
Exact Mass347.01
IUPAC Name2-hydroxy-1-[4-(6-iodo-3-pyridinyl)piperazin-1-yl]ethanone
SMILESO=C(CO)N1CCN(c2ccc(I)nc2)CC1
InChIInChI=1S/C11H14IN3O2/c12-10-2-1-9(7-13-10)14-3-5-15(6-4-14)11(17)8-16/h1-2,7,16H,3-6,8H2
InChIKeyYWTFLJBWDNKDJX-UHFFFAOYSA-N
XLogP0.33
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.16
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(6-iodo-3-pyridinyl)piperidine-4-carboxylic acid
CID 134406007
ethane;2-hydroxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone
CID 177161968
2-[2-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-2-oxoethoxy]acetic acid
CID 142371904
1-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 115949166
5-[4-(3-methylbutanoyl)piperazin-1-yl]pyridine-2-carboxylic acid
CID 83971688
1-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-2-propoxyethanone
CID 107937396
9-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-9-oxononanamide
CID 142371873
1-[4-[6-(2,2-dimethylpropyl)-3-pyridinyl]piperazin-1-yl]ethanone
CID 135157721
1-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]-2-hydroxyethanone
CID 167825204
7-(6-iodo-3-pyridinyl)-2-oxa-7-azaspiro[3.5]nonane
CID 134406353
2-(4-chlorophenoxy)-1-[4-(6-nitro-3-pyridinyl)piperazin-1-yl]ethanone
CID 28526630
N-[4-(2-chlorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-5-[4-(2-hydroxyacetyl)piperazin-1-yl]pyridine-2-carboxamide
CID 166890876

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[4-(6-iodo-3-pyridinyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-hydroxy-1-[4-(6-iodo-3-pyridinyl)piperazin-1-yl]ethanone (CID 134406781) is 2-hydroxy-1-[4-(6-iodo-3-pyridinyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-hydroxy-1-[4-(6-iodo-3-pyridinyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-hydroxy-1-[4-(6-iodo-3-pyridinyl)piperazin-1-yl]ethanone is O=C(CO)N1CCN(c2ccc(I)nc2)CC1.
What is the InChIKey of 2-hydroxy-1-[4-(6-iodo-3-pyridinyl)piperazin-1-yl]ethanone?
The InChIKey is YWTFLJBWDNKDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14IN3O2/c12-10-2-1-9(7-13-10)14-3-5-15(6-4-14)11(17)8-16/h1-2,7,16H,3-6,8H2.
What are the key properties of 2-hydroxy-1-[4-(6-iodo-3-pyridinyl)piperazin-1-yl]ethanone?
2-hydroxy-1-[4-(6-iodo-3-pyridinyl)piperazin-1-yl]ethanone has a molecular weight of 347.16 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[4-(6-iodo-3-pyridinyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 134406781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).