[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(3-iodophenyl)methanone

C17H16ClIN2O2 — CID 122256358

IUPAC[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(3-iodophenyl)methanone
SMILESO=C(c1cccc(I)c1)N1CCCC(Oc2ccncc2Cl)C1
InChIInChI=1S/C17H16ClIN2O2/c18-15-10-20-7-6-16(15)23-14-5-2-8-21(11-14)17(22)12-3-1-4-13(19)9-12/h1,3-4,6-7,9-10,14H,2,5,8,11H2
InChIKeyLISTYBUCLGEGSH-UHFFFAOYSA-N
MW442.68 g/mol
LogP4.02
Rot. Bonds3

About [3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(3-iodophenyl)methanone

[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(3-iodophenyl)methanone (PubChem CID 122256358) has the molecular formula C17H16ClIN2O2 and a molecular weight of 442.68 g/mol. Its IUPAC name is [3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(3-iodophenyl)methanone.

Molecular Properties

Compound Name[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(3-iodophenyl)methanone
PubChem CID122256358
Molecular FormulaC17H16ClIN2O2
Molecular Weight442.68 g/mol
Exact Mass441.99
IUPAC Name[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(3-iodophenyl)methanone
SMILESO=C(c1cccc(I)c1)N1CCCC(Oc2ccncc2Cl)C1
InChIInChI=1S/C17H16ClIN2O2/c18-15-10-20-7-6-16(15)23-14-5-2-8-21(11-14)17(22)12-3-1-4-13(19)9-12/h1,3-4,6-7,9-10,14H,2,5,8,11H2
InChIKeyLISTYBUCLGEGSH-UHFFFAOYSA-N
XLogP4.02
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.68
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(3-nitrophenyl)methanone
CID 122256214
[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 121017487
[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 122256222
(2-chloro-4-fluorophenyl)-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]methanone
CID 122256291
[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 122256184
[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-[4-(diethylamino)phenyl]methanone
CID 122256407
2-chloro-1-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]ethanone
CID 122256173
[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-quinolin-2-ylmethanone
CID 122256144
[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 122243487
[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 122243488
2-chloro-1-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]propan-1-one
CID 122256176
[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-(1-oxidopyridin-1-ium-3-yl)methanone
CID 119100273

Frequently Asked Questions

What is the IUPAC name of [3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(3-iodophenyl)methanone?
The IUPAC name of [3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(3-iodophenyl)methanone (CID 122256358) is [3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(3-iodophenyl)methanone.
What is the SMILES notation for [3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(3-iodophenyl)methanone?
The canonical SMILES for [3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(3-iodophenyl)methanone is O=C(c1cccc(I)c1)N1CCCC(Oc2ccncc2Cl)C1.
What is the InChIKey of [3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(3-iodophenyl)methanone?
The InChIKey is LISTYBUCLGEGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClIN2O2/c18-15-10-20-7-6-16(15)23-14-5-2-8-21(11-14)17(22)12-3-1-4-13(19)9-12/h1,3-4,6-7,9-10,14H,2,5,8,11H2.
What are the key properties of [3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(3-iodophenyl)methanone?
[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(3-iodophenyl)methanone has a molecular weight of 442.68 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(3-iodophenyl)methanone is sourced from PubChem (CID 122256358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).