4-amino-1-(6-iodo-3-pyridinyl)piperidin-2-one

C10H12IN3O — CID 134601373

IUPAC4-amino-1-(6-iodo-3-pyridinyl)piperidin-2-one
SMILESNC1CCN(c2ccc(I)nc2)C(=O)C1
InChIInChI=1S/C10H12IN3O/c11-9-2-1-8(6-13-9)14-4-3-7(12)5-10(14)15/h1-2,6-7H,3-5,12H2
InChIKeyQWKKEUNTUBUBDV-UHFFFAOYSA-N
MW317.13 g/mol
LogP1.14
Rot. Bonds1

About 4-amino-1-(6-iodo-3-pyridinyl)piperidin-2-one

4-amino-1-(6-iodo-3-pyridinyl)piperidin-2-one (PubChem CID 134601373) has the molecular formula C10H12IN3O and a molecular weight of 317.13 g/mol. Its IUPAC name is 4-amino-1-(6-iodo-3-pyridinyl)piperidin-2-one.

Molecular Properties

Compound Name4-amino-1-(6-iodo-3-pyridinyl)piperidin-2-one
PubChem CID134601373
Molecular FormulaC10H12IN3O
Molecular Weight317.13 g/mol
Exact Mass317.00
IUPAC Name4-amino-1-(6-iodo-3-pyridinyl)piperidin-2-one
SMILESNC1CCN(c2ccc(I)nc2)C(=O)C1
InChIInChI=1S/C10H12IN3O/c11-9-2-1-8(6-13-9)14-4-3-7(12)5-10(14)15/h1-2,6-7H,3-5,12H2
InChIKeyQWKKEUNTUBUBDV-UHFFFAOYSA-N
XLogP1.14
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.13
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)-1,4-diazepan-2-one
CID 134405874
1-(6-iodo-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715519
4-(2,2-dimethylpropyl)-1-(6-iodo-3-pyridinyl)piperazin-2-one
CID 134601378
[1-(6-iodo-3-pyridinyl)-2-oxopiperidin-3-yl]carbamic acid
CID 129218883
4-amino-1-[6-(diethylamino)-3-pyridinyl]pyrrolidin-2-one
CID 168699241
1-(6-iodo-3-pyridinyl)piperidine-4-carboxylic acid
CID 134406007
4-amino-1-(2-chlorophenyl)piperidin-2-one
CID 83642987
1-(6-amino-3-pyridinyl)-4-[(3,3-difluorocyclobutyl)amino]piperidin-2-one
CID 155281995
4-amino-1-(5-morpholin-4-yl-2-pyridinyl)pyrrolidin-2-one
CID 168700683
4-amino-1-(6-anilino-3-pyridinyl)pyrrolidin-2-one
CID 168700669
methyl 5-(4-amino-2-oxopyrrolidin-1-yl)pyridine-2-carboxylate
CID 168699445
4-amino-1-[2-(benzimidazol-1-yl)quinolin-8-yl]piperidin-2-one
CID 70928974

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(6-iodo-3-pyridinyl)piperidin-2-one?
The IUPAC name of 4-amino-1-(6-iodo-3-pyridinyl)piperidin-2-one (CID 134601373) is 4-amino-1-(6-iodo-3-pyridinyl)piperidin-2-one.
What is the SMILES notation for 4-amino-1-(6-iodo-3-pyridinyl)piperidin-2-one?
The canonical SMILES for 4-amino-1-(6-iodo-3-pyridinyl)piperidin-2-one is NC1CCN(c2ccc(I)nc2)C(=O)C1.
What is the InChIKey of 4-amino-1-(6-iodo-3-pyridinyl)piperidin-2-one?
The InChIKey is QWKKEUNTUBUBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12IN3O/c11-9-2-1-8(6-13-9)14-4-3-7(12)5-10(14)15/h1-2,6-7H,3-5,12H2.
What are the key properties of 4-amino-1-(6-iodo-3-pyridinyl)piperidin-2-one?
4-amino-1-(6-iodo-3-pyridinyl)piperidin-2-one has a molecular weight of 317.13 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(6-iodo-3-pyridinyl)piperidin-2-one is sourced from PubChem (CID 134601373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).