5-iodo-2-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyridazin-3-one

C12H16IN3O2 — CID 114553384

IUPAC5-iodo-2-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyridazin-3-one
SMILESCC(C(=O)N1CCCCC1)n1ncc(I)cc1=O
InChIInChI=1S/C12H16IN3O2/c1-9(12(18)15-5-3-2-4-6-15)16-11(17)7-10(13)8-14-16/h7-9H,2-6H2,1H3
InChIKeyBTMBYOVPGKADPI-UHFFFAOYSA-N
MW361.18 g/mol
LogP1.42
Rot. Bonds2

About 5-iodo-2-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyridazin-3-one

5-iodo-2-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyridazin-3-one (PubChem CID 114553384) has the molecular formula C12H16IN3O2 and a molecular weight of 361.18 g/mol. Its IUPAC name is 5-iodo-2-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyridazin-3-one.

Molecular Properties

Compound Name5-iodo-2-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyridazin-3-one
PubChem CID114553384
Molecular FormulaC12H16IN3O2
Molecular Weight361.18 g/mol
Exact Mass361.03
IUPAC Name5-iodo-2-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyridazin-3-one
SMILESCC(C(=O)N1CCCCC1)n1ncc(I)cc1=O
InChIInChI=1S/C12H16IN3O2/c1-9(12(18)15-5-3-2-4-6-15)16-11(17)7-10(13)8-14-16/h7-9H,2-6H2,1H3
InChIKeyBTMBYOVPGKADPI-UHFFFAOYSA-N
XLogP1.42
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.18
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-(2-methylpiperidin-1-yl)-2-oxoethyl)pyridazin-3(2H)-one
CID 45548746
2-(2-(2-ethylpiperidin-1-yl)-2-oxoethyl)pyridazin-3(2H)-one
CID 45548749
2-(6-Oxo-4-piperidin-1-ylpyridazin-1-yl)propanamide
CID 56885798
2-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 93478358
2-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 93478359
5-Iodo-2-[2-(1-methylpiperidin-2-yl)ethyl]pyridazin-3-one
CID 107913287
2-(4-iodo-6-oxopyridazin-1-yl)-N-pentylpropanamide
CID 113600126
5-Iodo-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyridazin-3-one
CID 113600131
N-cyclohexyl-2-(4-iodo-6-oxopyridazin-1-yl)propanamide
CID 113600132
2-(3-Oxopentan-2-yl)-5-piperidin-1-ylpyridazin-3-one
CID 114396137
5-(4-Methylpiperazin-1-yl)-2-(3-oxopentan-2-yl)pyridazin-3-one
CID 114396150
N-cyclopropyl-N-ethyl-2-(4-iodo-6-oxopyridazin-1-yl)acetamide
CID 114553350

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyridazin-3-one?
The IUPAC name of 5-iodo-2-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyridazin-3-one (CID 114553384) is 5-iodo-2-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyridazin-3-one.
What is the SMILES notation for 5-iodo-2-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyridazin-3-one?
The canonical SMILES for 5-iodo-2-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyridazin-3-one is CC(C(=O)N1CCCCC1)n1ncc(I)cc1=O.
What is the InChIKey of 5-iodo-2-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyridazin-3-one?
The InChIKey is BTMBYOVPGKADPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16IN3O2/c1-9(12(18)15-5-3-2-4-6-15)16-11(17)7-10(13)8-14-16/h7-9H,2-6H2,1H3.
What are the key properties of 5-iodo-2-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyridazin-3-one?
5-iodo-2-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyridazin-3-one has a molecular weight of 361.18 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyridazin-3-one is sourced from PubChem (CID 114553384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).