(4-iodoiodanuidylpiperazin-1-yl)-pyridin-4-ylmethanone

C10H12I2N3O- — CID 164591502

IUPAC(4-iodoiodanuidylpiperazin-1-yl)-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCN([I-]I)CC1
InChIInChI=1S/C10H12I2N3O/c11-12-15-7-5-14(6-8-15)10(16)9-1-3-13-4-2-9/h1-4H,5-8H2/q-1
InChIKeyKDEOTVAXJBRNHG-UHFFFAOYSA-N
MW444.03 g/mol
LogP-1.81
Rot. Bonds2

About (4-iodoiodanuidylpiperazin-1-yl)-pyridin-4-ylmethanone

(4-iodoiodanuidylpiperazin-1-yl)-pyridin-4-ylmethanone (PubChem CID 164591502) has the molecular formula C10H12I2N3O- and a molecular weight of 444.03 g/mol. Its IUPAC name is (4-iodoiodanuidylpiperazin-1-yl)-pyridin-4-ylmethanone.

Molecular Properties

Compound Name(4-iodoiodanuidylpiperazin-1-yl)-pyridin-4-ylmethanone
PubChem CID164591502
Molecular FormulaC10H12I2N3O-
Molecular Weight444.03 g/mol
Exact Mass443.91
IUPAC Name(4-iodoiodanuidylpiperazin-1-yl)-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCN([I-]I)CC1
InChIInChI=1S/C10H12I2N3O/c11-12-15-7-5-14(6-8-15)10(16)9-1-3-13-4-2-9/h1-4H,5-8H2/q-1
InChIKeyKDEOTVAXJBRNHG-UHFFFAOYSA-N
XLogP-1.81
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.03
LogP ≤ 5-1.81
H-Bond Donors ≤ 50
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

(4-iodopiperazin-1-yl)-pyridin-4-ylmethanone
CID 164591496
phenyl-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 742493
(4-methylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride
CID 110755354
[4-(piperidine-1-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 31868528
[4-(2-iodobenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 108534189
(4-methylphenyl)-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110798290
[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 110803075
(4,4-dimethylpiperidin-1-yl)-pyridin-4-ylmethanone
CID 110738617
methyl 4-(pyridine-4-carbonyl)-1,4-diazepane-1-carboxylate
CID 84549542
2-chloro-1-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 167785609
pyridin-4-yl-[4-(3,4,5-trihydroxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 108545747
(4-phenoxyphenyl)-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 71944089

Frequently Asked Questions

What is the IUPAC name of (4-iodoiodanuidylpiperazin-1-yl)-pyridin-4-ylmethanone?
The IUPAC name of (4-iodoiodanuidylpiperazin-1-yl)-pyridin-4-ylmethanone (CID 164591502) is (4-iodoiodanuidylpiperazin-1-yl)-pyridin-4-ylmethanone.
What is the SMILES notation for (4-iodoiodanuidylpiperazin-1-yl)-pyridin-4-ylmethanone?
The canonical SMILES for (4-iodoiodanuidylpiperazin-1-yl)-pyridin-4-ylmethanone is O=C(c1ccncc1)N1CCN([I-]I)CC1.
What is the InChIKey of (4-iodoiodanuidylpiperazin-1-yl)-pyridin-4-ylmethanone?
The InChIKey is KDEOTVAXJBRNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12I2N3O/c11-12-15-7-5-14(6-8-15)10(16)9-1-3-13-4-2-9/h1-4H,5-8H2/q-1.
What are the key properties of (4-iodoiodanuidylpiperazin-1-yl)-pyridin-4-ylmethanone?
(4-iodoiodanuidylpiperazin-1-yl)-pyridin-4-ylmethanone has a molecular weight of 444.03 g/mol, XLogP of -1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-iodoiodanuidylpiperazin-1-yl)-pyridin-4-ylmethanone is sourced from PubChem (CID 164591502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).